N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine

C19H24BrN — CID 105050326

IUPACN-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(C)cc2Br)c1
InChIInChI=1S/C19H24BrN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-11-10-14(3)12-18(17)20/h6,8-13,19,21H,4-5,7H2,1-3H3
InChIKeyVUPGWUHWCPJWQW-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.41
Rot. Bonds6

About N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine

N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine (PubChem CID 105050326) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
PubChem CID105050326
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
SMILESCCCc1cccc(C(NCC)c2ccc(C)cc2Br)c1
InChIInChI=1S/C19H24BrN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-11-10-14(3)12-18(17)20/h6,8-13,19,21H,4-5,7H2,1-3H3
InChIKeyVUPGWUHWCPJWQW-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-methylphenyl)-(3,5-dimethylphenyl)methyl]ethanamine
CID 115796773
N-[(2,5-dibromothiophen-3-yl)-(3-propylphenyl)methyl]ethanamine
CID 107969254
1-(2-bromophenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 116544137
N-[(2-bromo-6-fluorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 114887151
N-[(2-bromo-4-methylphenyl)-(furan-3-yl)methyl]ethanamine
CID 115855493
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-[(2-bromophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116544140
N-[(2,5-dibromophenyl)-(3-methylphenyl)methyl]ethanamine
CID 43489695
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234
N-[(2-bromo-4-methylphenyl)-(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 115852716
N-[(2-bromo-4-chlorophenyl)-(4-propylphenyl)methyl]ethanamine
CID 107987414

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine (CID 105050326) is N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine is CCCc1cccc(C(NCC)c2ccc(C)cc2Br)c1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
The InChIKey is VUPGWUHWCPJWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-7-15-8-6-9-16(13-15)19(21-5-2)17-11-10-14(3)12-18(17)20/h6,8-13,19,21H,4-5,7H2,1-3H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine?
N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine has a molecular weight of 346.31 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine is sourced from PubChem (CID 105050326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).