(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine

C18H22BrN — CID 43629735

IUPAC(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H22BrN/c1-3-4-5-14-6-8-15(9-7-14)18(20)17-11-10-16(19)12-13(17)2/h6-12,18H,3-5,20H2,1-2H3
InChIKeyIYUOQRXDIIRBAY-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.15
Rot. Bonds5

About (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine

(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine (PubChem CID 43629735) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
PubChem CID43629735
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
SMILESCCCCc1ccc(C(N)c2ccc(Br)cc2C)cc1
InChIInChI=1S/C18H22BrN/c1-3-4-5-14-6-8-15(9-7-14)18(20)17-11-10-16(19)12-13(17)2/h6-12,18H,3-5,20H2,1-2H3
InChIKeyIYUOQRXDIIRBAY-UHFFFAOYSA-N
XLogP5.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-methylphenyl)-(4-butylphenyl)methanamine
CID 81111134
(2-bromo-5-fluorophenyl)-(4-butylphenyl)methanamine
CID 43096393
(4-butylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 43464336
1-(4-bromo-2-methylphenyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43629813
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399
(5-bromothiophen-3-yl)-(4-butylphenyl)methanamine
CID 107960521
(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
CID 43629765
1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827119
(4-butylphenyl)-(2,4-dimethylphenyl)methanol
CID 63426615
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine (CID 43629735) is (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine is CCCCc1ccc(C(N)c2ccc(Br)cc2C)cc1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine?
The InChIKey is IYUOQRXDIIRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-3-4-5-14-6-8-15(9-7-14)18(20)17-11-10-16(19)12-13(17)2/h6-12,18H,3-5,20H2,1-2H3.
What are the key properties of (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine?
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine has a molecular weight of 332.29 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine is sourced from PubChem (CID 43629735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).