N-benzyl-N-[(2-bromophenyl)methyl]ethanamine

C16H18BrN — CID 55027071

IUPACN-benzyl-N-[(2-bromophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN/c1-2-18(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3
InChIKeyMXBFQFSIVASGRD-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.47
Rot. Bonds5

About N-benzyl-N-[(2-bromophenyl)methyl]ethanamine

N-benzyl-N-[(2-bromophenyl)methyl]ethanamine (PubChem CID 55027071) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-benzyl-N-[(2-bromophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-benzyl-N-[(2-bromophenyl)methyl]ethanamine
PubChem CID55027071
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-benzyl-N-[(2-bromophenyl)methyl]ethanamine
SMILESCCN(Cc1ccccc1)Cc1ccccc1Br
InChIInChI=1S/C16H18BrN/c1-2-18(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3
InChIKeyMXBFQFSIVASGRD-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
CID 78942264
2-[[benzyl(ethyl)amino]methyl]-3-bromoaniline
CID 43168955
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-benzyl-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 54940208
N-benzyl-N-[(4-tert-butylphenyl)methyl]ethanamine
CID 58802076
N-[(2-bromophenyl)methyl]-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82959881
N-benzyl-N-[(4,5-dimethylthiophen-3-yl)methyl]ethanamine
CID 22554331
2-bromo-5-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]aniline
CID 115557039
4-[[benzyl(propyl)amino]methyl]-3-bromoaniline
CID 60792626
N-benzyl-N-ethylprop-2-en-1-amine;hydrochloride
CID 173066031
N-[(4-bromonaphthalen-1-yl)methyl]-N-ethylethanamine
CID 171127319

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-bromophenyl)methyl]ethanamine?
The IUPAC name of N-benzyl-N-[(2-bromophenyl)methyl]ethanamine (CID 55027071) is N-benzyl-N-[(2-bromophenyl)methyl]ethanamine.
What is the SMILES notation for N-benzyl-N-[(2-bromophenyl)methyl]ethanamine?
The canonical SMILES for N-benzyl-N-[(2-bromophenyl)methyl]ethanamine is CCN(Cc1ccccc1)Cc1ccccc1Br.
What is the InChIKey of N-benzyl-N-[(2-bromophenyl)methyl]ethanamine?
The InChIKey is MXBFQFSIVASGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-2-18(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)17/h3-11H,2,12-13H2,1H3.
What are the key properties of N-benzyl-N-[(2-bromophenyl)methyl]ethanamine?
N-benzyl-N-[(2-bromophenyl)methyl]ethanamine has a molecular weight of 304.23 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-bromophenyl)methyl]ethanamine is sourced from PubChem (CID 55027071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).