N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine

C15H20BrN — CID 81471848

IUPACN-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H20BrN/c1-3-17-15(12-6-4-5-7-12)13-9-8-11(2)14(16)10-13/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyBXVGHOMITWDIOX-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.52
Rot. Bonds4

About N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine

N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine (PubChem CID 81471848) has the molecular formula C15H20BrN and a molecular weight of 294.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine
PubChem CID81471848
Molecular FormulaC15H20BrN
Molecular Weight294.24 g/mol
Exact Mass293.08
IUPAC NameN-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine
SMILESCCNC(C1=CCCC1)c1ccc(C)c(Br)c1
InChIInChI=1S/C15H20BrN/c1-3-17-15(12-6-4-5-7-12)13-9-8-11(2)14(16)10-13/h6,8-10,15,17H,3-5,7H2,1-2H3
InChIKeyBXVGHOMITWDIOX-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromo-4-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 81471701
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 81471927
N-[(4-bromo-3-methylphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 113396706
N-[(3-bromo-4-chlorophenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 107998718
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[(4-bromo-3,5-dimethylphenyl)-(cyclohepten-1-yl)methyl]ethanamine
CID 106654741
N-[cyclopenten-1-yl(phenyl)methyl]ethanamine
CID 62077860
N-[(3-bromo-5-chlorophenyl)-(cyclopenten-1-yl)methyl]ethanamine
CID 107950541
N-[(3-bromo-4-methylphenyl)-phenylmethyl]ethanamine
CID 81471923
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
N-[(5-bromo-4-methylthiophen-2-yl)-(cyclopenten-1-yl)methyl]ethanamine
CID 79981880
N-[[(1E)-cycloocten-1-yl]-(4-fluorophenyl)methyl]ethanamine
CID 106652433

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine (CID 81471848) is N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine is CCNC(C1=CCCC1)c1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine?
The InChIKey is BXVGHOMITWDIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN/c1-3-17-15(12-6-4-5-7-12)13-9-8-11(2)14(16)10-13/h6,8-10,15,17H,3-5,7H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine?
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine has a molecular weight of 294.24 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]ethanamine is sourced from PubChem (CID 81471848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).