N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine

C17H20BrN — CID 17211073

IUPACN-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-14(7-8-15-5-3-2-4-6-15)19-13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3
InChIKeyFINMEUBXBZHFKQ-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.56
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine

N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine (PubChem CID 17211073) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
PubChem CID17211073
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC NameN-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)NCc1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-14(7-8-15-5-3-2-4-6-15)19-13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3
InChIKeyFINMEUBXBZHFKQ-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
4-phenyl-N-(pyridin-4-ylmethyl)butan-2-amine;hydrochloride
CID 17206485
(2R)-N-[(4-bromothiophen-2-yl)methyl]-4-phenylbutan-2-amine
CID 28833188
N-[(3,4-dichlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211336
N-[(4-bromophenyl)methyl]-6-methylheptan-2-amine
CID 18807565
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329
N-[(1S)-1-(4-bromophenyl)ethyl]-4-phenylbutan-2-amine
CID 81359942
3-N-benzyl-1-N-bromobutane-1,3-diamine
CID 123611017
(2R)-4-phenyl-N-[(4-prop-2-enoxyphenyl)methyl]butan-2-amine
CID 51526999
N-benzyl-5-methylhexan-2-amine
CID 43177530
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine (CID 17211073) is N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine?
The InChIKey is FINMEUBXBZHFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-14(7-8-15-5-3-2-4-6-15)19-13-16-9-11-17(18)12-10-16/h2-6,9-12,14,19H,7-8,13H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine?
N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 17211073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).