N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

C31H32N2 — CID 167675917

IUPACN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3
InChIKeyBPCCQJWTZNZKQX-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.62
Rot. Bonds7

About N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (PubChem CID 167675917) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
PubChem CID167675917
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC NameN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3
InChIKeyBPCCQJWTZNZKQX-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 167585595
1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine
CID 157137362
N,N-dimethyl-1-[7-[[methyl-[(3-phenylphenyl)methyl]amino]methyl]-9H-fluoren-3-yl]methanamine
CID 167585560
1-(9H-fluoren-3-yl)-N,N-dimethylmethanamine
CID 147952103
N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylbenzene-5-id-1-yl)methanamine;N,N-dimethyl-1-[5-[[methyl-[(2-phenylbenzene-3-id-1-yl)methyl]amino]methyl]-9H-fluoren-2-yl]methanamine;N,N-dimethyl-1-[5-[[methyl-[(3-phenylbenzene-2-id-1-yl)methyl]amino]methyl]-9H-fluoren-2-yl]methanamine;N,N-dimethyl-1-[5-[[methyl-[(3-phenylbenzene-4-id-1-yl)methyl]amino]methyl]-9H-fluoren-2-yl]methanamine;ethane;methane;tetrakis(yttrium)
CID 167675915
N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine
CID 163666400
N'-[[1-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[2-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[3-[(dimethylamino)methyl]-9H-fluoren-1-yl]methyl]-N,N,N'-trimethylmethanediamine;N'-[[4-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N,N,N'-trimethylmethanediamine;ethane
CID 163666398
N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-3'-ylmethanamine;N,N-dimethyl-1-spiro[9H-anthracene-10,9'-fluorene]-4'-ylmethanamine;1-(9,9-diphenyl-10H-anthracen-2-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-1-yl)-N,N-dimethylmethanamine;1-(10,10-diphenyl-9H-anthracen-2-yl)-N,N-dimethylmethanamine
CID 158995010
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-ethyl-N-[(5-phenyl-9H-fluoren-4-yl)methyl]ethanamine
CID 167662684
1-[2'-[(dimethylamino)methyl]spiro[10H-anthracene-9,9'-fluorene]-2-yl]-N,N-dimethylmethanamine;1-[7'-[(dimethylamino)methyl]spiro[9H-anthracene-10,9'-fluorene]-2'-yl]-N,N-dimethylmethanamine;methane
CID 160791086
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (CID 167675917) is N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is CN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2.
What is the InChIKey of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The InChIKey is BPCCQJWTZNZKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3.
What are the key properties of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine has a molecular weight of 432.61 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 167675917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).