1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine

C16H25NO — CID 117112781

IUPAC1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
SMILESCOCC(C)(C)c1ccccc1C1(N)CCCC1
InChIInChI=1S/C16H25NO/c1-15(2,12-18-3)13-8-4-5-9-14(13)16(17)10-6-7-11-16/h4-5,8-9H,6-7,10-12,17H2,1-3H3
InChIKeyOIQMZKIPVVWHIO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds4

About 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine

1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine (PubChem CID 117112781) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
PubChem CID117112781
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine
SMILESCOCC(C)(C)c1ccccc1C1(N)CCCC1
InChIInChI=1S/C16H25NO/c1-15(2,12-18-3)13-8-4-5-9-14(13)16(17)10-6-7-11-16/h4-5,8-9H,6-7,10-12,17H2,1-3H3
InChIKeyOIQMZKIPVVWHIO-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-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

1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclohexan-1-amine
CID 117114607
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
2-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]ethanamine
CID 117110840
1-[2-(2-methoxypropyl)phenyl]cyclopentan-1-amine
CID 117112740
1-[2-(1-methoxycyclopropyl)phenyl]cyclobutan-1-amine
CID 117112884
2-[2-[1-(methoxymethyl)cyclopropyl]phenyl]-2-methylpropan-1-ol
CID 117113680
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
2-(1-methoxy-2-methylpropan-2-yl)benzonitrile
CID 115110865
1-[2-(1,1-difluoroethyl)-6-methoxyphenyl]cyclopentan-1-amine
CID 117391217
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
1-[3-[(dimethylamino)methyl]-2-methoxyphenyl]cyclohexan-1-amine
CID 117411111
3-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107937

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine (CID 117112781) is 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine is COCC(C)(C)c1ccccc1C1(N)CCCC1.
What is the InChIKey of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine?
The InChIKey is OIQMZKIPVVWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-15(2,12-18-3)13-8-4-5-9-14(13)16(17)10-6-7-11-16/h4-5,8-9H,6-7,10-12,17H2,1-3H3.
What are the key properties of 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine?
1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2-methylpropan-2-yl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117112781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).