2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine

C17H21BrN2 — CID 65385753

IUPAC2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-13(14-7-3-2-4-8-14)11-15(12-19)20-17-10-6-5-9-16(17)18/h2-10,13,15,20H,11-12,19H2,1H3
InChIKeyIUTCGTDNCKGLSV-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.38
Rot. Bonds6

About 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine

2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine (PubChem CID 65385753) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
PubChem CID65385753
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine
SMILESCC(CC(CN)Nc1ccccc1Br)c1ccccc1
InChIInChI=1S/C17H21BrN2/c1-13(14-7-3-2-4-8-14)11-15(12-19)20-17-10-6-5-9-16(17)18/h2-10,13,15,20H,11-12,19H2,1H3
InChIKeyIUTCGTDNCKGLSV-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2-methoxyphenyl)-4-phenylpentane-1,2-diamine
CID 65382943
2-N-(2-bromophenyl)pentane-1,2-diamine
CID 65385114
2-bromo-N-[(1S)-1-phenylethyl]aniline;hydrochloride
CID 172882995
2-N-cyclopropyl-4-phenylpentane-1,2-diamine
CID 62070521
2-N-(2,2-difluoroethyl)-4-phenylpentane-1,2-diamine
CID 115406341
2-bromo-N-(3,3-dimethyl-1-phenylbutyl)aniline
CID 43762679
2-N-[(2-methylcyclopropyl)methyl]-4-phenylpentane-1,2-diamine
CID 113464327
2-N-(4-methylpiperazin-1-yl)-4-phenylpentane-1,2-diamine
CID 83010931
2-bromo-N-butan-2-ylaniline
CID 43194515
4-phenyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 65381961
N,1-bis(2-bromophenyl)ethane-1,2-diamine
CID 65384493
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine?
The IUPAC name of 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine (CID 65385753) is 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine?
The canonical SMILES for 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine is CC(CC(CN)Nc1ccccc1Br)c1ccccc1.
What is the InChIKey of 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine?
The InChIKey is IUTCGTDNCKGLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-13(14-7-3-2-4-8-14)11-15(12-19)20-17-10-6-5-9-16(17)18/h2-10,13,15,20H,11-12,19H2,1H3.
What are the key properties of 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine?
2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine has a molecular weight of 333.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromophenyl)-4-phenylpentane-1,2-diamine is sourced from PubChem (CID 65385753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).