3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine

C13H18ClNO — CID 79632657

IUPAC3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H18ClNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3
InChIKeyUTLCTNBOYPDJOH-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.17
Rot. Bonds3

About 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine

3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine (PubChem CID 79632657) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
PubChem CID79632657
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(Oc2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H18ClNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3
InChIKeyUTLCTNBOYPDJOH-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-chloro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 79618917
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
3-(5-chloro-2-methylphenoxy)cyclobutan-1-amine
CID 66350739
3-(3-fluoro-4-methylphenoxy)-N-methylcyclopentan-1-amine
CID 107168914
3-(3,5-dimethylphenoxy)-N-methylcyclopentan-1-amine
CID 79642888
3-(5-chloro-2-methylphenoxy)cyclopentan-1-one
CID 79642993
3-(2-methoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79643718
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79836411
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
trans-(1S,2S)-2-(5-chloro-2-methylphenoxy)cyclopentan-1-ol
CID 102735536
4-[4-(5-chloro-2-methylphenoxy)piperidin-1-yl]pyrimidine
CID 141407313

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine (CID 79632657) is 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine is CNC1CCC(Oc2cc(Cl)ccc2C)C1.
What is the InChIKey of 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
The InChIKey is UTLCTNBOYPDJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-3-4-10(14)7-13(9)16-12-6-5-11(8-12)15-2/h3-4,7,11-12,15H,5-6,8H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine?
3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine has a molecular weight of 239.75 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79632657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).