2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol

C20H25NO2 — CID 111421775

IUPAC2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1cccc(OC2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H25NO2/c22-15-20(17-8-2-1-3-9-17)21-14-16-7-6-12-19(13-16)23-18-10-4-5-11-18/h1-3,6-9,12-13,18,20-22H,4-5,10-11,14-15H2
InChIKeyUEYFHVKWBBKFLZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.83
Rot. Bonds7

About 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol

2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol (PubChem CID 111421775) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
PubChem CID111421775
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1cccc(OC2CCCC2)c1)c1ccccc1
InChIInChI=1S/C20H25NO2/c22-15-20(17-8-2-1-3-9-17)21-14-16-7-6-12-19(13-16)23-18-10-4-5-11-18/h1-3,6-9,12-13,18,20-22H,4-5,10-11,14-15H2
InChIKeyUEYFHVKWBBKFLZ-UHFFFAOYSA-N
XLogP3.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxyphenyl)methylamino]-2-phenylethanol
CID 63182690
2-phenyl-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylamino]ethanol
CID 111421772
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
2-[(3-cyclopentyloxyphenyl)methylamino]hexanoic acid
CID 120510137
3-(3-cyclobutyloxyphenyl)propan-1-ol
CID 117294966
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
3-(3-cyclopropyloxyphenyl)-N-methyl-1-phenylpropan-1-amine
CID 114522988
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-[(3-cyclopropyloxyphenyl)methyl]cyclopropanamine
CID 114521707
N-[(3-cyclohexyloxyphenyl)methyl]cyclopentanecarboxamide
CID 86941906
(3R)-3-[(3-ethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449990
N-[[3-(3-cyclopropyloxyphenyl)phenyl]methyl]propan-2-amine
CID 114522593

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol (CID 111421775) is 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol is OCC(NCc1cccc(OC2CCCC2)c1)c1ccccc1.
What is the InChIKey of 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol?
The InChIKey is UEYFHVKWBBKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c22-15-20(17-8-2-1-3-9-17)21-14-16-7-6-12-19(13-16)23-18-10-4-5-11-18/h1-3,6-9,12-13,18,20-22H,4-5,10-11,14-15H2.
What are the key properties of 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol?
2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol has a molecular weight of 311.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyloxyphenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 111421775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).