4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine

C17H20BrN — CID 70611591

IUPAC4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(N)CC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-17(2,19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16H,12,19H2,1-2H3
InChIKeyOHRZQPPJFHTDJC-UHFFFAOYSA-N
MW318.26 g/mol
LogP4.71
Rot. Bonds4

About 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine

4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine (PubChem CID 70611591) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine
PubChem CID70611591
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine
SMILESCC(C)(N)CC(c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN/c1-17(2,19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16H,12,19H2,1-2H3
InChIKeyOHRZQPPJFHTDJC-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-[(4-bromophenyl)-phenylmethyl]benzene
CID 5083697
1-(4-bromophenyl)-2-methylpropane-1,2-diol;2-methyl-1-phenylpropane-1,2-diol
CID 160734659
1,1,3,3-tetraphenylpropan-1-amine
CID 174742383
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
4-(2-bromophenyl)-2-methylpentan-2-amine
CID 83913148
3-amino-1-(4-bromophenyl)-1-phenylpropan-2-ol
CID 82094931
N-[(4-bromophenyl)-phenylmethyl]-2-methylpropane-2-sulfinamide
CID 89462500
ethyl (2S)-2-(4-bromophenyl)-3-methyl-3-phenylbutanoate
CID 102106663
1-(4-bromophenyl)-N-[(1S)-1-phenylethyl]propan-1-amine
CID 81350927
1-(4-bromophenyl)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 81350988
3-(4-bromophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
CID 3059018
3-methyl-1-naphthalen-2-ylbutane-1,3-diamine
CID 116933649

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine (CID 70611591) is 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine is CC(C)(N)CC(c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine?
The InChIKey is OHRZQPPJFHTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-17(2,19)12-16(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16H,12,19H2,1-2H3.
What are the key properties of 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine?
4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine has a molecular weight of 318.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-methyl-4-phenylbutan-2-amine is sourced from PubChem (CID 70611591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).