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

C17H27NO3 — CID 117473584

IUPAC[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-16-10-14(19-3)13(9-15(16)20-4)17(11-18)7-5-6-8-17/h9-10,12H,5-8,11,18H2,1-4H3
InChIKeyILTTUAPYHFTRNX-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds6

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

[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine (PubChem CID 117473584) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
PubChem CID117473584
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine
SMILESCOc1cc(C2(CN)CCCC2)c(OC)cc1OC(C)C
InChIInChI=1S/C17H27NO3/c1-12(2)21-16-10-14(19-3)13(9-15(16)20-4)17(11-18)7-5-6-8-17/h9-10,12H,5-8,11,18H2,1-4H3
InChIKeyILTTUAPYHFTRNX-UHFFFAOYSA-N
XLogP3.26
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117444927
[1-(2,5-dimethoxy-4-methylphenyl)cyclopentyl]methanamine
CID 82499041
[1-(2,5-dimethoxy-4-propan-2-ylphenyl)cyclobutyl]methanamine
CID 117413443
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-amine
CID 117381647
[1-(2,5-dimethoxy-4-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117476236
[1-(4-chloro-2,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456502
[1-(2-chloro-4,5-dimethoxyphenyl)cyclohexyl]methanamine
CID 117456508
[1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropyl]methanamine
CID 117381664
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
[1-(5-ethoxy-2-methoxy-4-methylphenyl)cyclopentyl]methanamine
CID 117413430
[1-[4-(difluoromethyl)-2-methoxyphenyl]cyclohexyl]methanamine
CID 117426647
[1-(6-methoxy-1,3-dihydro-2-benzofuran-5-yl)cyclohexyl]methanamine
CID 117408247

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine?
The IUPAC name of [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine (CID 117473584) is [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine is COc1cc(C2(CN)CCCC2)c(OC)cc1OC(C)C.
What is the InChIKey of [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine?
The InChIKey is ILTTUAPYHFTRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(2)21-16-10-14(19-3)13(9-15(16)20-4)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-yloxyphenyl)cyclopentyl]methanamine?
[1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine has a molecular weight of 293.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopentyl]methanamine is sourced from PubChem (CID 117473584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).