1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol

C16H25NO2 — CID 60635394

IUPAC1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(14-7-3-2-4-8-14)19-12-16(18)11-17-15-9-5-6-10-15/h2-4,7-8,13,15-18H,5-6,9-12H2,1H3
InChIKeyJHKKAAADEQIWSS-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.66
Rot. Bonds7

About 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol

1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol (PubChem CID 60635394) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
PubChem CID60635394
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol
SMILESCC(OCC(O)CNC1CCCC1)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-13(14-7-3-2-4-8-14)19-12-16(18)11-17-15-9-5-6-10-15/h2-4,7-8,13,15-18H,5-6,9-12H2,1H3
InChIKeyJHKKAAADEQIWSS-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-4-yl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 60910129
(2S)-1-[(1S)-1-phenylethoxy]-3-[[(3R)-thiolan-3-yl]amino]propan-2-ol
CID 97321907
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-[(2-methylcyclopropyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 55071380
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
1-(1-phenylethoxy)-3-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-2-ol
CID 79352877
1-(2-cyclopropylpropylamino)-3-(1-phenylethoxy)propan-2-ol
CID 115591839
1-(1-cyclopropylethylamino)-3-(1-phenylethoxy)propan-2-ol
CID 54938755
1-(cyclohexylamino)-3-propan-2-yloxypropan-2-ol
CID 60633332
1-(cyclooctylamino)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 4799215
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 106025545
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol (CID 60635394) is 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol is CC(OCC(O)CNC1CCCC1)c1ccccc1.
What is the InChIKey of 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol?
The InChIKey is JHKKAAADEQIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-13(14-7-3-2-4-8-14)19-12-16(18)11-17-15-9-5-6-10-15/h2-4,7-8,13,15-18H,5-6,9-12H2,1H3.
What are the key properties of 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol?
1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(1-phenylethoxy)propan-2-ol is sourced from PubChem (CID 60635394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).