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

C15H22FNO — CID 111466397

IUPAC2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
SMILESCCC1CCC(NCC(O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-11-7-8-12(9-11)17-10-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,17-18H,2,7-10H2,1H3
InChIKeyIICYFRRXVYKQDK-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.03
Rot. Bonds5

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

2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol (PubChem CID 111466397) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
PubChem CID111466397
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
SMILESCCC1CCC(NCC(O)c2ccccc2F)C1
InChIInChI=1S/C15H22FNO/c1-2-11-7-8-12(9-11)17-10-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,17-18H,2,7-10H2,1H3
InChIKeyIICYFRRXVYKQDK-UHFFFAOYSA-N
XLogP3.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
2-[(2,2-diethyloxan-4-yl)amino]-1-(2-fluorophenyl)ethanol
CID 83036436
ethyl 4-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 110887734
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115651887
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
1-(2-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019176
N-[(3-ethylcyclopentyl)-(2-fluorophenyl)methyl]propan-1-amine
CID 65410648
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
N-[2-(2-fluorophenyl)-3-methylhexyl]cyclopropanamine
CID 107886995
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol (CID 111466397) is 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol is CCC1CCC(NCC(O)c2ccccc2F)C1.
What is the InChIKey of 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is IICYFRRXVYKQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-11-7-8-12(9-11)17-10-15(18)13-5-3-4-6-14(13)16/h3-6,11-12,15,17-18H,2,7-10H2,1H3.
What are the key properties of 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol?
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 111466397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).