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

C14H20ClNO — CID 66359158

IUPAC3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H20ClNO/c1-3-6-16-12-8-13(9-12)17-14-5-4-11(15)7-10(14)2/h4-5,7,12-13,16H,3,6,8-9H2,1-2H3
InChIKeyBVMJDCLTSLYPPV-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds5

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

3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66359158) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66359158
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Cl)cc2C)C1
InChIInChI=1S/C14H20ClNO/c1-3-6-16-12-8-13(9-12)17-14-5-4-11(15)7-10(14)2/h4-5,7,12-13,16H,3,6,8-9H2,1-2H3
InChIKeyBVMJDCLTSLYPPV-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

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Related Compounds

3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66358261
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
8-(4-chloro-2-methylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739651
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549
3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
3-(2-fluoro-5-methylphenoxy)-N-propylcyclopentan-1-amine
CID 79632348
9-(4-chloro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714698
3-(5-chloro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 79632657
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine (CID 66359158) is 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Cl)cc2C)C1.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is BVMJDCLTSLYPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-6-16-12-8-13(9-12)17-14-5-4-11(15)7-10(14)2/h4-5,7,12-13,16H,3,6,8-9H2,1-2H3.
What are the key properties of 3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine?
3-(4-chloro-2-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-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66359158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).