3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

C15H22ClNO — CID 66358261

IUPAC3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1
InChIInChI=1S/C15H22ClNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyPURCTLUVJCHYDH-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.87
Rot. Bonds5

About 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine

3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (PubChem CID 66358261) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
PubChem CID66358261
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1
InChIInChI=1S/C15H22ClNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3
InChIKeyPURCTLUVJCHYDH-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 107727232
3-(3,4-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66359131
3-(4-chloro-2-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66359158
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
3-(2,5-dimethylphenoxy)-N-propylcyclobutan-1-amine
CID 66357508
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(4-methylsulfonylphenoxy)-N-propylcyclobutan-1-amine
CID 66359704
3-(2-methyl-5-propan-2-ylphenoxy)-N-propylcyclobutan-1-amine
CID 66350890
N-propyl-3-(2,4,6-triiodophenoxy)cyclobutan-1-amine
CID 66358655
3-(3-fluoro-4-methylphenoxy)-N-propylcyclohexan-1-amine
CID 107169056
N-ethyl-3-(3-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 142365199
3-(4-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66351549

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine (CID 66358261) is 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(C)c(Cl)c(C)c2)C1.
What is the InChIKey of 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
The InChIKey is PURCTLUVJCHYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-4-5-17-12-8-14(9-12)18-13-6-10(2)15(16)11(3)7-13/h6-7,12,14,17H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine?
3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylphenoxy)-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66358261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).