2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol

C17H28N2O2 — CID 81134315

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCCN(C)C2CCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-19(15-7-3-4-8-15)11-10-18-13-17(20)14-6-5-9-16(12-14)21-2/h5-6,9,12,15,17-18,20H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyOEMRUYNIYHAZSR-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.19
Rot. Bonds8

About 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol

2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol (PubChem CID 81134315) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
PubChem CID81134315
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNCCN(C)C2CCCC2)c1
InChIInChI=1S/C17H28N2O2/c1-19(15-7-3-4-8-15)11-10-18-13-17(20)14-6-5-9-16(12-14)21-2/h5-6,9,12,15,17-18,20H,3-4,7-8,10-11,13H2,1-2H3
InChIKeyOEMRUYNIYHAZSR-UHFFFAOYSA-N
XLogP2.19
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-[1-(3-methoxyphenyl)ethyl]-N'-methylethane-1,2-diamine
CID 63314663
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
CID 78966701
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-[3-[cyclohexyl(methyl)amino]propyl]-3-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]urea
CID 78879244
1-(3-methoxyphenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]ethanol
CID 106025460
N'-(cyclobutylmethyl)-1-(3-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 65458499
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-[(2-propan-2-ylcyclohexyl)amino]ethanol
CID 81338115
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol (CID 81134315) is 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNCCN(C)C2CCCC2)c1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol?
The InChIKey is OEMRUYNIYHAZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-19(15-7-3-4-8-15)11-10-18-13-17(20)14-6-5-9-16(12-14)21-2/h5-6,9,12,15,17-18,20H,3-4,7-8,10-11,13H2,1-2H3.
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol?
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol has a molecular weight of 292.42 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).