[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine

C16H25NO — CID 117371885

IUPAC[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)14-7-6-13(10-15(14)18-3)16(11-17)8-4-5-9-16/h6-7,10,12H,4-5,8-9,11,17H2,1-3H3
InChIKeyKEKBMNRHTFPUCG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds4

About [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine

[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine (PubChem CID 117371885) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
PubChem CID117371885
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)ccc1C(C)C
InChIInChI=1S/C16H25NO/c1-12(2)14-7-6-13(10-15(14)18-3)16(11-17)8-4-5-9-16/h6-7,10,12H,4-5,8-9,11,17H2,1-3H3
InChIKeyKEKBMNRHTFPUCG-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-[3-methoxy-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117377424
[1-(4-methoxy-3-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117418161
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
1-[1-(3-methoxy-4-propan-2-ylphenyl)cyclopropyl]ethanamine
CID 117339161
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
[1-(3-methoxy-4-methylsulfanylphenyl)cyclopropyl]methanamine
CID 117320792
[1-(4-ethoxy-3-methoxyphenyl)cyclopropyl]methanamine
CID 116989217
1-(3-methoxy-4-propan-2-ylphenyl)cyclopentane-1-carboxylic acid
CID 117410626
[1-(2,3-dimethoxy-6-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413444
[1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]methanamine
CID 117488616

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine (CID 117371885) is [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)ccc1C(C)C.
What is the InChIKey of [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The InChIKey is KEKBMNRHTFPUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)14-7-6-13(10-15(14)18-3)16(11-17)8-4-5-9-16/h6-7,10,12H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117371885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).