1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine

C14H21NO — CID 80692869

IUPAC1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeyRXAFGVYYPIRZIH-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.06
Rot. Bonds2

About 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine

1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine (PubChem CID 80692869) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
PubChem CID80692869
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine
SMILESCOc1cccc(C2(N)CCC(C)(C)C2)c1
InChIInChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8,10,15H2,1-3H3
InChIKeyRXAFGVYYPIRZIH-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
2-(3-methoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009223
3,3-dimethyl-1-naphthalen-2-ylcyclopentan-1-amine
CID 80705364
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178
1-(3-methoxyphenyl)-3,3-dipropylcyclobutan-1-amine
CID 65005245
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
3-ethyl-1-(3-methoxyphenyl)cyclobutan-1-amine
CID 64997497
1-[3-(4-methoxyphenyl)phenyl]cyclopropan-1-amine
CID 167713468
2-(3-methoxyphenyl)-2-methylcyclopropan-1-amine
CID 62389909
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
1-[3-(2-methoxyethoxy)phenyl]cyclopropan-1-amine
CID 165348196

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine (CID 80692869) is 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine is COc1cccc(C2(N)CCC(C)(C)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
The InChIKey is RXAFGVYYPIRZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-13(2)7-8-14(15,10-13)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8,10,15H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine?
1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80692869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).