[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol

C17H27NO3 — CID 103786094

IUPAC[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
SMILESCOc1ccc(CC(C)NC2CCCC2CO)cc1OC
InChIInChI=1S/C17H27NO3/c1-12(18-15-6-4-5-14(15)11-19)9-13-7-8-16(20-2)17(10-13)21-3/h7-8,10,12,14-15,18-19H,4-6,9,11H2,1-3H3
InChIKeySQIJCQDOSKASGW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.39
Rot. Bonds7

About [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol

[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol (PubChem CID 103786094) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
PubChem CID103786094
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol
SMILESCOc1ccc(CC(C)NC2CCCC2CO)cc1OC
InChIInChI=1S/C17H27NO3/c1-12(18-15-6-4-5-14(15)11-19)9-13-7-8-16(20-2)17(10-13)21-3/h7-8,10,12,14-15,18-19H,4-6,9,11H2,1-3H3
InChIKeySQIJCQDOSKASGW-UHFFFAOYSA-N
XLogP2.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]cyclopentyl]methanol
CID 103786056
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]oxan-3-amine
CID 63359784
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1-methylpiperidin-4-amine
CID 43373330
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-3,3-dimethylcyclopentan-1-amine
CID 115897346
[2-[(3-fluoro-4-methoxyphenyl)methylamino]cyclopentyl]methanol
CID 103700320
(3R)-3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]azepan-2-one
CID 42563386
4-[1-[[2-(hydroxymethyl)cyclohexyl]amino]ethyl]-2-methoxyphenol
CID 106359770
N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-2-methyloxan-4-amine
CID 103907180
1-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]propan-2-ol
CID 43499278
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
[2-[1-(4-ethylphenyl)ethylamino]cyclopentyl]methanol
CID 103786035

Frequently Asked Questions

What is the IUPAC name of [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol?
The IUPAC name of [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol (CID 103786094) is [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol.
What is the SMILES notation for [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol?
The canonical SMILES for [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol is COc1ccc(CC(C)NC2CCCC2CO)cc1OC.
What is the InChIKey of [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol?
The InChIKey is SQIJCQDOSKASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(18-15-6-4-5-14(15)11-19)9-13-7-8-16(20-2)17(10-13)21-3/h7-8,10,12,14-15,18-19H,4-6,9,11H2,1-3H3.
What are the key properties of [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol?
[2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]cyclopentyl]methanol is sourced from PubChem (CID 103786094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).