2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol

C17H27NO2 — CID 110019478

IUPAC2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccccc1CCCN(C)CC1CCCC1O
InChIInChI=1S/C17H27NO2/c1-18(13-15-8-5-10-16(15)19)12-6-9-14-7-3-4-11-17(14)20-2/h3-4,7,11,15-16,19H,5-6,8-10,12-13H2,1-2H3
InChIKeyRDOHMSMNRBTNBT-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds7

About 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol

2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 110019478) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID110019478
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol
SMILESCOc1ccccc1CCCN(C)CC1CCCC1O
InChIInChI=1S/C17H27NO2/c1-18(13-15-8-5-10-16(15)19)12-6-9-14-7-3-4-11-17(14)20-2/h3-4,7,11,15-16,19H,5-6,8-10,12-13H2,1-2H3
InChIKeyRDOHMSMNRBTNBT-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopentyloxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866480
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
N'-[2-(2-methoxyphenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 94258994
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 50964588
2-[[(1S,2S)-2-hydroxycyclohexyl]methylamino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 133110814
1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
1-methoxy-2-tetradecylbenzene
CID 69169530
2-[(2-methoxyphenyl)methylamino]cyclopentan-1-ol
CID 60713485
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 95758872
N-[[2-[(2-methoxyphenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 81034455
2-[2-(2-methoxyphenyl)ethyl-methylamino]ethanethiol
CID 115224424

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol (CID 110019478) is 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol is COc1ccccc1CCCN(C)CC1CCCC1O.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is RDOHMSMNRBTNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-18(13-15-8-5-10-16(15)19)12-6-9-14-7-3-4-11-17(14)20-2/h3-4,7,11,15-16,19H,5-6,8-10,12-13H2,1-2H3.
What are the key properties of 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol?
2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)propyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 110019478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).