1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol

C14H19F2NO — CID 115651887

IUPAC1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCC1CCC(NCC(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NO/c1-9-2-4-11(6-9)17-8-14(18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,17-18H,2,4,6,8H2,1H3
InChIKeyKANWKSKEIFMMEH-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.78
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol

1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol (PubChem CID 115651887) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
PubChem CID115651887
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
SMILESCC1CCC(NCC(O)c2ccc(F)cc2F)C1
InChIInChI=1S/C14H19F2NO/c1-9-2-4-11(6-9)17-8-14(18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,17-18H,2,4,6,8H2,1H3
InChIKeyKANWKSKEIFMMEH-UHFFFAOYSA-N
XLogP2.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821
1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
CID 103776797
2-[(3-methylcyclopentyl)amino]-1-(2-methylphenyl)ethanol
CID 111466776
1-(2,4-difluorophenyl)-2-[(2-methylcyclopropyl)methylamino]ethanol
CID 115694377
(2,4-difluorophenyl)-(3-methylcyclopentyl)methanol
CID 65401333
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
1-(2-methoxy-5-methylphenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 114545638
2-(cyclopropylamino)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 79017552
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
2-[(3-ethylcyclopentyl)amino]-1-(2-fluorophenyl)ethanol
CID 111466397
2-(tert-butylamino)-1-(2,4-difluorophenyl)ethanol
CID 60900936
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol (CID 115651887) is 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol is CC1CCC(NCC(O)c2ccc(F)cc2F)C1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
The InChIKey is KANWKSKEIFMMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-9-2-4-11(6-9)17-8-14(18)12-5-3-10(15)7-13(12)16/h3,5,7,9,11,14,17-18H,2,4,6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol?
1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol is sourced from PubChem (CID 115651887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).