(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine

C13H16BrN — CID 65307996

IUPAC(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)C1=CCCC1
InChIInChI=1S/C13H16BrN/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10/h4,6-8,13H,2-3,5,15H2,1H3
InChIKeyUMQQNACZUUEGTN-UHFFFAOYSA-N
MW266.18 g/mol
LogP3.87
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine

(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine (PubChem CID 65307996) has the molecular formula C13H16BrN and a molecular weight of 266.18 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
PubChem CID65307996
Molecular FormulaC13H16BrN
Molecular Weight266.18 g/mol
Exact Mass265.05
IUPAC Name(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine
SMILESCc1ccc(Br)cc1C(N)C1=CCCC1
InChIInChI=1S/C13H16BrN/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10/h4,6-8,13H,2-3,5,15H2,1H3
InChIKeyUMQQNACZUUEGTN-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 53.87
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

(4-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654796
(5-bromo-2-fluorophenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106654768
cyclohexen-1-yl-(5-fluoro-2-methylphenyl)methanamine
CID 63047741
(2-bromo-3-methylphenyl)-(cyclopenten-1-yl)methanamine
CID 107982009
N-[(5-bromo-2-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]ethanamine
CID 106656484
(2-bromo-3-methylphenyl)-(cyclohepten-1-yl)methanamine
CID 107982012
cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
CID 107960917
1-(5-bromo-2-methylphenyl)ethanamine
CID 82647898
cyclohexen-1-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 62078656
cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
CID 62078181
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(2-bromofuran-3-yl)-[(1E)-cycloocten-1-yl]methanamine
CID 106859008

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine (CID 65307996) is (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine is Cc1ccc(Br)cc1C(N)C1=CCCC1.
What is the InChIKey of (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine?
The InChIKey is UMQQNACZUUEGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN/c1-9-6-7-11(14)8-12(9)13(15)10-4-2-3-5-10/h4,6-8,13H,2-3,5,15H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine?
(5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine has a molecular weight of 266.18 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(cyclopenten-1-yl)methanamine is sourced from PubChem (CID 65307996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).