N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

C31H32N2 — CID 167585595

IUPACN-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)-c1ccc(CN(C)Cc3ccc(-c4ccccc4)cc3)cc1C2
InChIInChI=1S/C31H32N2/c1-32(2)20-25-11-15-28-19-29-17-24(12-16-30(29)31(28)18-25)22-33(3)21-23-9-13-27(14-10-23)26-7-5-4-6-8-26/h4-18H,19-22H2,1-3H3
InChIKeyGGHNYMVWSWARSL-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.62
Rot. Bonds7

About N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (PubChem CID 167585595) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
PubChem CID167585595
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC NameN-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)-c1ccc(CN(C)Cc3ccc(-c4ccccc4)cc3)cc1C2
InChIInChI=1S/C31H32N2/c1-32(2)20-25-11-15-28-19-29-17-24(12-16-30(29)31(28)18-25)22-33(3)21-23-9-13-27(14-10-23)26-7-5-4-6-8-26/h4-18H,19-22H2,1-3H3
InChIKeyGGHNYMVWSWARSL-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

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
N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 167675917
1-(9H-fluoren-3-yl)-N,N-dimethylmethanamine
CID 147952103
N-[(7-ethyl-9H-fluoren-2-yl)methyl]-N-methylethanamine
CID 170383446
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 16555071
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methyl-1-phenylmethanamine
CID 103997964
[methyl-[(4-phenylphenyl)methyl]amino]methanol
CID 115229134
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
2-[4-[(3-phenylphenyl)methyl]phenyl]-9H-fluorene
CID 142614829
2-(fluoromethyl)-9H-fluorene
CID 126607350
N-[(9,9-diphenylfluoren-3-yl)methyl]-N-ethyl-4-(9H-fluoren-3-yl)aniline
CID 121424678

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (CID 167585595) is N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is CN(C)Cc1ccc2c(c1)-c1ccc(CN(C)Cc3ccc(-c4ccccc4)cc3)cc1C2.
What is the InChIKey of N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The InChIKey is GGHNYMVWSWARSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-32(2)20-25-11-15-28-19-29-17-24(12-16-30(29)31(28)18-25)22-33(3)21-23-9-13-27(14-10-23)26-7-5-4-6-8-26/h4-18H,19-22H2,1-3H3.
What are the key properties of N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
N-[[6-[(dimethylamino)methyl]-9H-fluoren-2-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-[[6-[(dimethylamino)methyl]-9H-fluoren-2-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 167585595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).