N-[(3-bromophenyl)methyl]-1-phenylethanamine

C15H16BrN — CID 2756844

IUPACN-[(3-bromophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3
InChIKeyHQHNBGPDEUQEET-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.30
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-phenylethanamine

N-[(3-bromophenyl)methyl]-1-phenylethanamine (PubChem CID 2756844) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-phenylethanamine
PubChem CID2756844
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-phenylethanamine
SMILESCC(NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C15H16BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3
InChIKeyHQHNBGPDEUQEET-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-bromophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349778
(1R)-N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 28645148
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
N-[(3-bromophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43221563
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine
CID 966918
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
(1S)-N-[(3,4-dibromophenyl)methyl]-1-phenylethanamine
CID 114985822
3-[[1-(3-bromophenyl)ethylamino]methyl]benzoic acid
CID 103241329
(1S)-N-[(4-bromophenyl)methyl]-1-phenylethanamine;hydrochloride
CID 172883048
1-(3-bromo-4-fluorophenyl)-N-[(3-bromophenyl)methyl]ethanamine
CID 61401322
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-phenylethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-phenylethanamine (CID 2756844) is N-[(3-bromophenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-phenylethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-phenylethanamine is CC(NCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-phenylethanamine?
The InChIKey is HQHNBGPDEUQEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-12(14-7-3-2-4-8-14)17-11-13-6-5-9-15(16)10-13/h2-10,12,17H,11H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-phenylethanamine?
N-[(3-bromophenyl)methyl]-1-phenylethanamine has a molecular weight of 290.20 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 2756844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).