1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine

C16H25NO — CID 113448551

IUPAC1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
SMILESCNC(COc1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)18-11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyNSBHQMQGMKMEMS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.46
Rot. Bonds5

About 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine

1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine (PubChem CID 113448551) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
PubChem CID113448551
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine
SMILESCNC(COc1cc(C)cc(C)c1)C1CCCC1
InChIInChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)18-11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3
InChIKeyNSBHQMQGMKMEMS-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine 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

1-cyclopentyl-2-(3,5-dimethylphenoxy)ethanol
CID 113449276
1-cyclopropyl-N-methyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 63907720
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
2-(4-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748472
1-cyclohexyl-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethanamine
CID 104749235
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
2-(2-chloro-4-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749395
1-cyclohexyl-2-(2,6-dimethylphenoxy)-N-methylethanamine
CID 104748343
1-cyclohexyl-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
CID 104748451
1-cyclohexyl-N-methyl-2-(2,3,6-trimethylphenoxy)ethanamine
CID 104749034
2-(5-chloro-2-methylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104749564
1-cyclohexyl-N-ethyl-2-(2,3,5-trimethylphenoxy)ethanamine
CID 104748853

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine?
The IUPAC name of 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine (CID 113448551) is 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine.
What is the SMILES notation for 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine?
The canonical SMILES for 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine is CNC(COc1cc(C)cc(C)c1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine?
The InChIKey is NSBHQMQGMKMEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-13(2)10-15(9-12)18-11-16(17-3)14-6-4-5-7-14/h8-10,14,16-17H,4-7,11H2,1-3H3.
What are the key properties of 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine?
1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(3,5-dimethylphenoxy)-N-methylethanamine is sourced from PubChem (CID 113448551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).