1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol

C17H27NO2 — CID 104591392

IUPAC1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
SMILESCC(CNCC(O)COC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(15-7-3-2-4-8-15)11-18-12-16(19)13-20-17-9-5-6-10-17/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3
InChIKeyIBXRRPVRMLUPRP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.70
Rot. Bonds8

About 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol

1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol (PubChem CID 104591392) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
PubChem CID104591392
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
SMILESCC(CNCC(O)COC1CCCC1)c1ccccc1
InChIInChI=1S/C17H27NO2/c1-14(15-7-3-2-4-8-15)11-18-12-16(19)13-20-17-9-5-6-10-17/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3
InChIKeyIBXRRPVRMLUPRP-UHFFFAOYSA-N
XLogP2.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-3-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 55251514
1-cyclopentyloxy-3-(1-phenylpropylamino)propan-2-ol
CID 62306417
1-ethoxy-3-(2-phenylpropylamino)propan-2-ol
CID 113430199
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-cyclopentyloxy-3-[2-(2-methylphenyl)ethylamino]propan-2-ol
CID 79748980
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
cyclopentyl N-(2-phenylpropyl)carbamate
CID 59093438
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(benzylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633001

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol (CID 104591392) is 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol is CC(CNCC(O)COC1CCCC1)c1ccccc1.
What is the InChIKey of 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol?
The InChIKey is IBXRRPVRMLUPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14(15-7-3-2-4-8-15)11-18-12-16(19)13-20-17-9-5-6-10-17/h2-4,7-8,14,16-19H,5-6,9-13H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol?
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol has a molecular weight of 277.41 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol is sourced from PubChem (CID 104591392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).