1-(4-bromophenyl)-2-methylcyclopentan-1-amine

C12H16BrN — CID 79679716

IUPAC1-(4-bromophenyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1(N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-9-3-2-8-12(9,14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3
InChIKeyNYQODCMCDABQME-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.42
Rot. Bonds1

About 1-(4-bromophenyl)-2-methylcyclopentan-1-amine

1-(4-bromophenyl)-2-methylcyclopentan-1-amine (PubChem CID 79679716) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methylcyclopentan-1-amine
PubChem CID79679716
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name1-(4-bromophenyl)-2-methylcyclopentan-1-amine
SMILESCC1CCCC1(N)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrN/c1-9-3-2-8-12(9,14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3
InChIKeyNYQODCMCDABQME-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-2-methylcyclopentan-1-amine (CID 79679716) is 1-(4-bromophenyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-2-methylcyclopentan-1-amine is CC1CCCC1(N)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-methylcyclopentan-1-amine?
The InChIKey is NYQODCMCDABQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-9-3-2-8-12(9,14)10-4-6-11(13)7-5-10/h4-7,9H,2-3,8,14H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-methylcyclopentan-1-amine?
1-(4-bromophenyl)-2-methylcyclopentan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 79679716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).