[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine

C17H27NO2 — CID 117444927

IUPAC[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)13-9-16(20-4)14(10-15(13)19-3)17(11-18)7-5-6-8-17/h9-10,12H,5-8,11,18H2,1-4H3
InChIKeyWSOWBSQJCCHDQM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.60
Rot. Bonds5

About [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine

[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine (PubChem CID 117444927) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
PubChem CID117444927
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1C(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)13-9-16(20-4)14(10-15(13)19-3)17(11-18)7-5-6-8-17/h9-10,12H,5-8,11,18H2,1-4H3
InChIKeyWSOWBSQJCCHDQM-UHFFFAOYSA-N
XLogP3.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
CID 117473584
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclohexan-1-amine
CID 117444886
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-chloro-4-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 117432368
[1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117423578
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine (CID 117444927) is [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)c(OC)cc1C(C)C.
What is the InChIKey of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
The InChIKey is WSOWBSQJCCHDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)13-9-16(20-4)14(10-15(13)19-3)17(11-18)7-5-6-8-17/h9-10,12H,5-8,11,18H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine?
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117444927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).