1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol

C16H24FNO — CID 103158093

IUPAC1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)CC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(14-7-4-8-15(17)10-14)18-11-16(19)9-13-5-2-3-6-13/h4,7-8,10,12-13,16,18-19H,2-3,5-6,9,11H2,1H3/t12-,16?/m0/s1
InChIKeyNJQMSZYREUSESV-HKALDPMFSA-N
MW265.37 g/mol
LogP3.42
Rot. Bonds6

About 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol

1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol (PubChem CID 103158093) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
PubChem CID103158093
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
SMILESC[C@H](NCC(O)CC1CCCC1)c1cccc(F)c1
InChIInChI=1S/C16H24FNO/c1-12(14-7-4-8-15(17)10-14)18-11-16(19)9-13-5-2-3-6-13/h4,7-8,10,12-13,16,18-19H,2-3,5-6,9,11H2,1H3/t12-,16?/m0/s1
InChIKeyNJQMSZYREUSESV-HKALDPMFSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
1-cyclopentyl-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 103158136
N-[1-(3-fluorophenyl)ethyl]cycloheptanamine
CID 43080032
1-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-3-(4-methylpentoxy)propan-2-ol
CID 81352872
(1R)-1-(3-fluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 81369388
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
(1S)-1-(3-fluorophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 81364808
1-(3-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62386409
N-cycloheptyl-2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]acetamide
CID 81352151

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol (CID 103158093) is 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol is C[C@H](NCC(O)CC1CCCC1)c1cccc(F)c1.
What is the InChIKey of 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is NJQMSZYREUSESV-HKALDPMFSA-N. The full InChI is InChI=1S/C16H24FNO/c1-12(14-7-4-8-15(17)10-14)18-11-16(19)9-13-5-2-3-6-13/h4,7-8,10,12-13,16,18-19H,2-3,5-6,9,11H2,1H3/t12-,16?/m0/s1.
What are the key properties of 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol?
1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol has a molecular weight of 265.37 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 103158093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).