1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol

C14H20FNO — CID 115652821

IUPAC1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCC1CCC(NCC(O)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-10-5-6-13(7-10)16-9-14(17)11-3-2-4-12(15)8-11/h2-4,8,10,13-14,16-17H,5-7,9H2,1H3
InChIKeyAYEVRLDNNHXNRP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.64
Rot. Bonds4

About 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol

1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol (PubChem CID 115652821) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
PubChem CID115652821
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCC1CCC(NCC(O)c2cccc(F)c2)C1
InChIInChI=1S/C14H20FNO/c1-10-5-6-13(7-10)16-9-14(17)11-3-2-4-12(15)8-11/h2-4,8,10,13-14,16-17H,5-7,9H2,1H3
InChIKeyAYEVRLDNNHXNRP-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
N-[1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 64502479
N-[(1S)-1-(3-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81365764
2-(cyclopropylamino)-1-(3-methylphenyl)ethanol
CID 62774704
2-[[(1R)-1-cyclopentylethyl]amino]-1-(3-fluorophenyl)ethanol
CID 81396373
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N'-(3-methylcyclopentyl)-1-phenylethane-1,2-diamine
CID 114547176
1-(3-fluorophenyl)-2-(octylamino)ethanol
CID 115567782
1-(3,4-difluorophenyl)-2-[(2-methyloxan-4-yl)amino]ethanol
CID 103910298
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol (CID 115652821) is 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol is CC1CCC(NCC(O)c2cccc(F)c2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The InChIKey is AYEVRLDNNHXNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10-5-6-13(7-10)16-9-14(17)11-3-2-4-12(15)8-11/h2-4,8,10,13-14,16-17H,5-7,9H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol has a molecular weight of 237.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol is sourced from PubChem (CID 115652821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).