N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine

C16H19BrN2 — CID 61420149

IUPACN'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
SMILESCN(Cc1ccccc1Br)CC(N)c1ccccc1
InChIInChI=1S/C16H19BrN2/c1-19(11-14-9-5-6-10-15(14)17)12-16(18)13-7-3-2-4-8-13/h2-10,16H,11-12,18H2,1H3
InChIKeyHSQBZIUPAMKRSU-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.58
Rot. Bonds5

About N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine

N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine (PubChem CID 61420149) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
PubChem CID61420149
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC NameN'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
SMILESCN(Cc1ccccc1Br)CC(N)c1ccccc1
InChIInChI=1S/C16H19BrN2/c1-19(11-14-9-5-6-10-15(14)17)12-16(18)13-7-3-2-4-8-13/h2-10,16H,11-12,18H2,1H3
InChIKeyHSQBZIUPAMKRSU-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(2-bromophenyl)methyl]-1-N,3-dimethylbutane-1,2-diamine
CID 61420053
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-N-[(2-bromophenyl)methyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62633676
1-[(2-bromophenyl)methyl-methylamino]butan-2-ol
CID 61416488
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
1-[4-(aminomethyl)phenyl]-2-[(2-bromophenyl)methyl-methylamino]ethanol
CID 61416373
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
2-bromo-N-[(2-bromophenyl)methyl]-3-methoxy-N-methylpropan-1-amine
CID 80690713
N'-benzyl-N'-methyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43420040
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
methyl 2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-methylbutanoate
CID 115253420

Frequently Asked Questions

What is the IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine (CID 61420149) is N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine is CN(Cc1ccccc1Br)CC(N)c1ccccc1.
What is the InChIKey of N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine?
The InChIKey is HSQBZIUPAMKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c1-19(11-14-9-5-6-10-15(14)17)12-16(18)13-7-3-2-4-8-13/h2-10,16H,11-12,18H2,1H3.
What are the key properties of N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine?
N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine has a molecular weight of 319.25 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-bromophenyl)methyl]-N'-methyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 61420149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).