2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine

C30H30N2 — CID 175461959

IUPAC2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine
SMILESCCN(c1ccc2c(c1)-c1ccc(NCc3ccccc3)cc1C2)c1ccc(C)cc1C
InChIInChI=1S/C30H30N2/c1-4-32(30-15-10-21(2)16-22(30)3)27-13-11-24-17-25-18-26(12-14-28(25)29(24)19-27)31-20-23-8-6-5-7-9-23/h5-16,18-19,31H,4,17,20H2,1-3H3
InChIKeyYTTDKWOYPVHBPJ-UHFFFAOYSA-N
MW418.58 g/mol
LogP7.64
Rot. Bonds6

About 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine

2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine (PubChem CID 175461959) has the molecular formula C30H30N2 and a molecular weight of 418.58 g/mol. Its IUPAC name is 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine
PubChem CID175461959
Molecular FormulaC30H30N2
Molecular Weight418.58 g/mol
Exact Mass418.24
IUPAC Name2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine
SMILESCCN(c1ccc2c(c1)-c1ccc(NCc3ccccc3)cc1C2)c1ccc(C)cc1C
InChIInChI=1S/C30H30N2/c1-4-32(30-15-10-21(2)16-22(30)3)27-13-11-24-17-25-18-26(12-14-28(25)29(24)19-27)31-20-23-8-6-5-7-9-23/h5-16,18-19,31H,4,17,20H2,1-3H3
InChIKeyYTTDKWOYPVHBPJ-UHFFFAOYSA-N
XLogP7.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 57.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-methyl-N-(4-methylphenyl)-9H-fluoren-3-amine
CID 151144852
6-N-ethyl-2-N,2-N-dimethyl-6-N-phenyl-9H-fluorene-2,6-diamine
CID 175462005
N,N-diethyl-6-methyl-9H-fluoren-2-amine
CID 67711573
N-(thiophen-3-ylmethyl)-9H-fluoren-2-amine
CID 22663948
N-[(3-methoxyphenyl)methyl]-9H-fluoren-2-amine
CID 22663951
4-N,4-N-diethyl-1-N-(6-methyl-9H-fluoren-3-yl)benzene-1,4-diamine
CID 70359800
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
N-ethyl-4-(ethylaminomethyl)-2-methyl-N-(4-methylphenyl)aniline
CID 63551214
4-(6-methyl-9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157107572
2'-(N-ethyl-2,4-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 143856827
2'-(benzylamino)-6'-(N-ethyl-4-methylanilino)-4'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 14297599
2,4-dimethyl-N-[(4-methylphenyl)methyl]-N-phenylaniline
CID 142315588

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine?
The IUPAC name of 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine (CID 175461959) is 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine.
What is the SMILES notation for 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine?
The canonical SMILES for 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine is CCN(c1ccc2c(c1)-c1ccc(NCc3ccccc3)cc1C2)c1ccc(C)cc1C.
What is the InChIKey of 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine?
The InChIKey is YTTDKWOYPVHBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2/c1-4-32(30-15-10-21(2)16-22(30)3)27-13-11-24-17-25-18-26(12-14-28(25)29(24)19-27)31-20-23-8-6-5-7-9-23/h5-16,18-19,31H,4,17,20H2,1-3H3.
What are the key properties of 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine?
2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine has a molecular weight of 418.58 g/mol, XLogP of 7.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-N-(2,4-dimethylphenyl)-6-N-ethyl-9H-fluorene-2,6-diamine is sourced from PubChem (CID 175461959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).