3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol

C17H27NO2 — CID 62617126

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(CCO)C1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18(11-12-19)16-9-5-6-10-16/h2-4,7-8,14,16-17,19-20H,5-6,9-13H2,1H3
InChIKeyNBZHGNVYMNPETN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds7

About 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol

3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol (PubChem CID 62617126) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
PubChem CID62617126
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
SMILESCC(CN(CCO)C1CCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18(11-12-19)16-9-5-6-10-16/h2-4,7-8,14,16-17,19-20H,5-6,9-13H2,1H3
InChIKeyNBZHGNVYMNPETN-UHFFFAOYSA-N
XLogP2.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
2-[cyclopentyl-[2-methyl-3-(methylamino)-3-phenylpropyl]amino]ethanol
CID 62618091
3-[cyclopropyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62619676
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 102677010
3-[cycloheptyl(2-hydroxyethyl)amino]-2-methylpropanoic acid
CID 82329620
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,6-difluorophenyl)ethanol
CID 111114317
2-methyl-3-[methyl(thiolan-3-yl)amino]-1-phenylpropan-1-ol
CID 62619338
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
N'-cyclopentyl-N,N'-diethyl-2-methyl-1-phenylpropane-1,3-diamine
CID 62617718
3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol (CID 62617126) is 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol is CC(CN(CCO)C1CCCC1)C(O)c1ccccc1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol?
The InChIKey is NBZHGNVYMNPETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(17(20)15-7-3-2-4-8-15)13-18(11-12-19)16-9-5-6-10-16/h2-4,7-8,14,16-17,19-20H,5-6,9-13H2,1H3.
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol?
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol is sourced from PubChem (CID 62617126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).