N-benzyl-2-(4-bromophenyl)propan-1-amine

C16H18BrN — CID 67472007

IUPACN-benzyl-2-(4-bromophenyl)propan-1-amine
SMILESCC(CNCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN/c1-13(15-7-9-16(17)10-8-15)11-18-12-14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3
InChIKeyDHYMSYCDRMGCEI-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.34
Rot. Bonds5

About N-benzyl-2-(4-bromophenyl)propan-1-amine

N-benzyl-2-(4-bromophenyl)propan-1-amine (PubChem CID 67472007) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is N-benzyl-2-(4-bromophenyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-bromophenyl)propan-1-amine
PubChem CID67472007
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC NameN-benzyl-2-(4-bromophenyl)propan-1-amine
SMILESCC(CNCc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN/c1-13(15-7-9-16(17)10-8-15)11-18-12-14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3
InChIKeyDHYMSYCDRMGCEI-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-phenylpropan-1-amine
CID 43079999
N-benzyl-2-naphthalen-2-ylpropan-1-amine
CID 11011230
N-[(5-bromothiophen-3-yl)methyl]-2-phenylpropan-1-amine
CID 43431962
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
(2S)-1-(benzylamino)propan-2-ol
CID 964914
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]methanamine;1-phenylbutylbenzene
CID 70441708
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
CID 17211073
2-[4-[[(4-bromophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234963
N-[(4-bromo-3-nitrophenyl)methyl]-2-phenylpropan-1-amine
CID 43223332

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-bromophenyl)propan-1-amine?
The IUPAC name of N-benzyl-2-(4-bromophenyl)propan-1-amine (CID 67472007) is N-benzyl-2-(4-bromophenyl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-(4-bromophenyl)propan-1-amine?
The canonical SMILES for N-benzyl-2-(4-bromophenyl)propan-1-amine is CC(CNCc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-benzyl-2-(4-bromophenyl)propan-1-amine?
The InChIKey is DHYMSYCDRMGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-13(15-7-9-16(17)10-8-15)11-18-12-14-5-3-2-4-6-14/h2-10,13,18H,11-12H2,1H3.
What are the key properties of N-benzyl-2-(4-bromophenyl)propan-1-amine?
N-benzyl-2-(4-bromophenyl)propan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-bromophenyl)propan-1-amine is sourced from PubChem (CID 67472007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).