N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine

C17H26BrN — CID 105027710

IUPACN-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1ccc(C)cc1Br)C1CCCCCC1
InChIInChI=1S/C17H26BrN/c1-3-19-17(14-8-6-4-5-7-9-14)15-11-10-13(2)12-16(15)18/h10-12,14,17,19H,3-9H2,1-2H3
InChIKeyWDFYULIFYYLZCR-UHFFFAOYSA-N
MW324.31 g/mol
LogP5.38
Rot. Bonds4

About N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine

N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine (PubChem CID 105027710) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
PubChem CID105027710
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1ccc(C)cc1Br)C1CCCCCC1
InChIInChI=1S/C17H26BrN/c1-3-19-17(14-8-6-4-5-7-9-14)15-11-10-13(2)12-16(15)18/h10-12,14,17,19H,3-9H2,1-2H3
InChIKeyWDFYULIFYYLZCR-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.31
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]propan-1-amine
CID 105027676
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethyl]ethanamine
CID 43492667
N-[cyclooctyl-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 65018552
N-[cyclohexyl-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 55187562
(2-bromo-4-methylphenyl)-cycloheptylmethanol
CID 82928098
(2-bromo-4-methylphenyl)-cyclohexylmethanamine
CID 114981605
N-[(2-bromo-4-chlorophenyl)-cyclohexylmethyl]propan-1-amine
CID 107991761
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
CID 65399254
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693
1-(2-bromo-4-methylphenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115862601

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine?
The IUPAC name of N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine (CID 105027710) is N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine?
The canonical SMILES for N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine is CCNC(c1ccc(C)cc1Br)C1CCCCCC1.
What is the InChIKey of N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine?
The InChIKey is WDFYULIFYYLZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-19-17(14-8-6-4-5-7-9-14)15-11-10-13(2)12-16(15)18/h10-12,14,17,19H,3-9H2,1-2H3.
What are the key properties of N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine?
N-[(2-bromo-4-methylphenyl)-cycloheptylmethyl]ethanamine has a molecular weight of 324.31 g/mol, XLogP of 5.38, 4 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)-cycloheptylmethyl]ethanamine is sourced from PubChem (CID 105027710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).