2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine

C15H23ClN2 — CID 82767316

IUPAC2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
SMILESCN(Cc1ccc(Cl)cc1)CC1(C)CCCC1N
InChIInChI=1S/C15H23ClN2/c1-15(9-3-4-14(15)17)11-18(2)10-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3
InChIKeyIPBZLPFXPHZMQA-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.29
Rot. Bonds4

About 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine

2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine (PubChem CID 82767316) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
PubChem CID82767316
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
SMILESCN(Cc1ccc(Cl)cc1)CC1(C)CCCC1N
InChIInChI=1S/C15H23ClN2/c1-15(9-3-4-14(15)17)11-18(2)10-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3
InChIKeyIPBZLPFXPHZMQA-UHFFFAOYSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine (CID 82767316) is 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine is CN(Cc1ccc(Cl)cc1)CC1(C)CCCC1N.
What is the InChIKey of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine?
The InChIKey is IPBZLPFXPHZMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(9-3-4-14(15)17)11-18(2)10-12-5-7-13(16)8-6-12/h5-8,14H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine?
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine has a molecular weight of 266.82 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82767316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).