(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine

C13H16ClN — CID 106870888

IUPAC(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine
SMILESCc1ccc(/C=C2/CCC(N)C2)c(Cl)c1
InChIInChI=1S/C13H16ClN/c1-9-2-4-11(13(14)6-9)7-10-3-5-12(15)8-10/h2,4,6-7,12H,3,5,8,15H2,1H3/b10-7-
InChIKeyWQRWQDARFQGGLL-YFHOEESVSA-N
MW221.73 g/mol
LogP3.54
Rot. Bonds1

About (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine

(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine (PubChem CID 106870888) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine.

Molecular Properties

Compound Name(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine
PubChem CID106870888
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine
SMILESCc1ccc(/C=C2/CCC(N)C2)c(Cl)c1
InChIInChI=1S/C13H16ClN/c1-9-2-4-11(13(14)6-9)7-10-3-5-12(15)8-10/h2,4,6-7,12H,3,5,8,15H2,1H3/b10-7-
InChIKeyWQRWQDARFQGGLL-YFHOEESVSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine?
The IUPAC name of (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine (CID 106870888) is (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine.
What is the SMILES notation for (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine?
The canonical SMILES for (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine is Cc1ccc(/C=C2/CCC(N)C2)c(Cl)c1.
What is the InChIKey of (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine?
The InChIKey is WQRWQDARFQGGLL-YFHOEESVSA-N. The full InChI is InChI=1S/C13H16ClN/c1-9-2-4-11(13(14)6-9)7-10-3-5-12(15)8-10/h2,4,6-7,12H,3,5,8,15H2,1H3/b10-7-.
What are the key properties of (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine?
(3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine has a molecular weight of 221.73 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-chloro-4-methylphenyl)methylidene]cyclopentan-1-amine is sourced from PubChem (CID 106870888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).