[2-(3,4-dichlorophenyl)cyclopentyl]methanamine

C12H15Cl2N — CID 81010012

IUPAC[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c13-11-5-4-8(6-12(11)14)10-3-1-2-9(10)7-15/h4-6,9-10H,1-3,7,15H2
InChIKeyHWTHBVBCIINTEE-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.84
Rot. Bonds2

About [2-(3,4-dichlorophenyl)cyclopentyl]methanamine

[2-(3,4-dichlorophenyl)cyclopentyl]methanamine (PubChem CID 81010012) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is [2-(3,4-dichlorophenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
PubChem CID81010012
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
SMILESNCC1CCCC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2N/c13-11-5-4-8(6-12(11)14)10-3-1-2-9(10)7-15/h4-6,9-10H,1-3,7,15H2
InChIKeyHWTHBVBCIINTEE-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dichlorophenyl)cyclopentyl]methanamine?
The IUPAC name of [2-(3,4-dichlorophenyl)cyclopentyl]methanamine (CID 81010012) is [2-(3,4-dichlorophenyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3,4-dichlorophenyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(3,4-dichlorophenyl)cyclopentyl]methanamine is NCC1CCCC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-(3,4-dichlorophenyl)cyclopentyl]methanamine?
The InChIKey is HWTHBVBCIINTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c13-11-5-4-8(6-12(11)14)10-3-1-2-9(10)7-15/h4-6,9-10H,1-3,7,15H2.
What are the key properties of [2-(3,4-dichlorophenyl)cyclopentyl]methanamine?
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine has a molecular weight of 244.16 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dichlorophenyl)cyclopentyl]methanamine is sourced from PubChem (CID 81010012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).