1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol

C17H26FNO2 — CID 60969924

IUPAC1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol
SMILESCC(Cc1ccc(F)cc1)NCC(O)COC1CCCC1
InChIInChI=1S/C17H26FNO2/c1-13(10-14-6-8-15(18)9-7-14)19-11-16(20)12-21-17-4-2-3-5-17/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3
InChIKeyCXVKTJHCWVHKFQ-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.67
Rot. Bonds8

About 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol

1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol (PubChem CID 60969924) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol
PubChem CID60969924
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol
SMILESCC(Cc1ccc(F)cc1)NCC(O)COC1CCCC1
InChIInChI=1S/C17H26FNO2/c1-13(10-14-6-8-15(18)9-7-14)19-11-16(20)12-21-17-4-2-3-5-17/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3
InChIKeyCXVKTJHCWVHKFQ-UHFFFAOYSA-N
XLogP2.67
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propanol, 1-[(1-methylethyl)amino]-3-(3-phenyl
CID 12797747
(1S)-2-(3-phenylpropoxy)-1-[(2R)-piperidin-2-yl]ethanol
CID 14201550
(1S)-2-(3-phenylpropoxy)-1-[(2S)-piperidin-2-yl]ethanol
CID 21595423
(2S,3S)-2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylpentan-1-ol
CID 45930255
(2S,3S)-2-{[2-(2-fluorophenyl)-1-methylethyl]amino}-3-methyl-1-pentanol
CID 45933426
Asperidine A
CID 146684014
2-{2-[(2-Phenylethyl)amino]ethoxy}ethan-1-ol
CID 17156820
2-(3-(2,4-Difluorophenyl)-2-(ethylamino)propoxy)ethan-1-ol hydrochloride
CID 165700016
(2S,3R,4S)-4-amino-2-[[methyl(2-phenylethyl)amino]methyl]oxolan-3-ol
CID 125416315
1-(Tert-butylamino)-3-(3-phenylpropoxy)propan-2-ol
CID 12797748
2-Propanol, 1-[(1-methylethyl)amino]-3-(2-phenyl
CID 14223890
1-(Tert-butylamino)-3-(2-phenylethoxy)propan-2-ol
CID 14223892

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol (CID 60969924) is 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol is CC(Cc1ccc(F)cc1)NCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol?
The InChIKey is CXVKTJHCWVHKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13(10-14-6-8-15(18)9-7-14)19-11-16(20)12-21-17-4-2-3-5-17/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol?
1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[1-(4-fluorophenyl)propan-2-ylamino]propan-2-ol is sourced from PubChem (CID 60969924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).