(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine

C17H20BrN — CID 43096152

IUPAC(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrN/c1-3-12(2)13-4-6-14(7-5-13)17(19)15-8-10-16(18)11-9-15/h4-12,17H,3,19H2,1-2H3
InChIKeyATKGKSRREBHZEJ-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.01
Rot. Bonds4

About (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine

(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine (PubChem CID 43096152) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
PubChem CID43096152
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc(Br)cc2)cc1
InChIInChI=1S/C17H20BrN/c1-3-12(2)13-4-6-14(7-5-13)17(19)15-8-10-16(18)11-9-15/h4-12,17H,3,19H2,1-2H3
InChIKeyATKGKSRREBHZEJ-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butan-2-ylphenyl)-(4-methoxyphenyl)methanamine
CID 43198098
(1S)-1-[4-[(2S)-butan-2-yl]phenyl]ethanamine
CID 7026226
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-(4-butan-2-ylphenyl)-2-methylpropan-1-amine
CID 4962685
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43111676
(4-butan-2-ylphenyl)-(2,3-dichlorophenyl)methanamine
CID 43108281
2-amino-2-(4-butan-2-ylphenyl)acetamide
CID 116850739
4-bromo-1-[(4-butan-2-ylphenyl)-chloromethyl]-2-chlorobenzene
CID 63430121

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine?
The IUPAC name of (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine (CID 43096152) is (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine.
What is the SMILES notation for (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine?
The canonical SMILES for (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine is CCC(C)c1ccc(C(N)c2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine?
The InChIKey is ATKGKSRREBHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-3-12(2)13-4-6-14(7-5-13)17(19)15-8-10-16(18)11-9-15/h4-12,17H,3,19H2,1-2H3.
What are the key properties of (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine?
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine has a molecular weight of 318.26 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4-butan-2-ylphenyl)methanamine is sourced from PubChem (CID 43096152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).