3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine

C14H20ClNO — CID 66350258

IUPAC3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)cc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-3-6-16-11-8-12(9-11)17-14-5-4-10(2)7-13(14)15/h4-5,7,11-12,16H,3,6,8-9H2,1-2H3
InChIKeyYDQNGRLLDVOZBI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds5

About 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine

3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66350258) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66350258
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(C)cc2Cl)C1
InChIInChI=1S/C14H20ClNO/c1-3-6-16-11-8-12(9-11)17-14-5-4-10(2)7-13(14)15/h4-5,7,11-12,16H,3,6,8-9H2,1-2H3
InChIKeyYDQNGRLLDVOZBI-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-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-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
3-(2-chloro-4-methylphenoxy)cyclobutan-1-ol
CID 66343960
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine (CID 66350258) is 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(C)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is YDQNGRLLDVOZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-6-16-11-8-12(9-11)17-14-5-4-10(2)7-13(14)15/h4-5,7,11-12,16H,3,6,8-9H2,1-2H3.
What are the key properties of 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine?
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66350258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).