3-(3-bromophenyl)-3-phenylbutan-1-amine

C16H18BrN — CID 173451063

IUPAC3-(3-bromophenyl)-3-phenylbutan-1-amine
SMILESCC(CCN)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN/c1-16(10-11-18,13-6-3-2-4-7-13)14-8-5-9-15(17)12-14/h2-9,12H,10-11,18H2,1H3
InChIKeyMRKXIQQHWJWLRY-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.10
Rot. Bonds4

About 3-(3-bromophenyl)-3-phenylbutan-1-amine

3-(3-bromophenyl)-3-phenylbutan-1-amine (PubChem CID 173451063) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-phenylbutan-1-amine
PubChem CID173451063
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name3-(3-bromophenyl)-3-phenylbutan-1-amine
SMILESCC(CCN)(c1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN/c1-16(10-11-18,13-6-3-2-4-7-13)14-8-5-9-15(17)12-14/h2-9,12H,10-11,18H2,1H3
InChIKeyMRKXIQQHWJWLRY-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-amino-2-(3-bromophenyl)-2-methylbutanoate
CID 158531044
(2S)-2-amino-2-(3-bromophenyl)propan-1-ol
CID 66931490
3-N-(3-bromophenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134633
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221
3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
1-(3-bromophenyl)-2,2-dimethylbutane-1,4-diamine
CID 116934538
4-amino-4-(3-bromophenyl)pentan-1-ol
CID 116861781
3-N-[(3-bromophenyl)methyl]-3-methylbutane-1,3-diamine
CID 115134766
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
1,3-bis(2-phenylbutan-2-yl)benzene;methane
CID 144908035
1-bromo-3-(2-chlorobutan-2-yl)benzene
CID 171061964
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-phenylbutan-1-amine?
The IUPAC name of 3-(3-bromophenyl)-3-phenylbutan-1-amine (CID 173451063) is 3-(3-bromophenyl)-3-phenylbutan-1-amine.
What is the SMILES notation for 3-(3-bromophenyl)-3-phenylbutan-1-amine?
The canonical SMILES for 3-(3-bromophenyl)-3-phenylbutan-1-amine is CC(CCN)(c1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-3-phenylbutan-1-amine?
The InChIKey is MRKXIQQHWJWLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-16(10-11-18,13-6-3-2-4-7-13)14-8-5-9-15(17)12-14/h2-9,12H,10-11,18H2,1H3.
What are the key properties of 3-(3-bromophenyl)-3-phenylbutan-1-amine?
3-(3-bromophenyl)-3-phenylbutan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-phenylbutan-1-amine is sourced from PubChem (CID 173451063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).