4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol

C19H23ClFNO — CID 123560963

IUPAC4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol
SMILESCCC(CO)CC(N)Cc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H23ClFNO/c1-2-13(12-23)9-17(22)10-14-3-5-15(6-4-14)18-11-16(20)7-8-19(18)21/h3-8,11,13,17,23H,2,9-10,12,22H2,1H3
InChIKeyJSOOISBIFITWRJ-UHFFFAOYSA-N
MW335.85 g/mol
LogP4.42
Rot. Bonds7

About 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol

4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol (PubChem CID 123560963) has the molecular formula C19H23ClFNO and a molecular weight of 335.85 g/mol. Its IUPAC name is 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol.

Molecular Properties

Compound Name4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol
PubChem CID123560963
Molecular FormulaC19H23ClFNO
Molecular Weight335.85 g/mol
Exact Mass335.15
IUPAC Name4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol
SMILESCCC(CO)CC(N)Cc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C19H23ClFNO/c1-2-13(12-23)9-17(22)10-14-3-5-15(6-4-14)18-11-16(20)7-8-19(18)21/h3-8,11,13,17,23H,2,9-10,12,22H2,1H3
InChIKeyJSOOISBIFITWRJ-UHFFFAOYSA-N
XLogP4.42
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.85
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R)-3-[4-(2-chloro-6-fluoro-4-methyl-phenyl)phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
CID 176457300
2-Amino-1-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
CID 17895949
(1RS,2SR)-2-amino-1-(3-chlorophenyl)-3-[4-(1,1-difluoro-2,2-dimethylpropyl)phenyl]-1-propanol
CID 22261485
(S)-2-amino-3-(3-chlorophenyl)propan-1-ol
CID 28804592
1-Hydroxy-3-(4'-fluoro-4-biphenylyl)butylamine
CID 54170915
ethyl (4S)-4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-methylpentanoate
CID 59608106
(1R,2R)-2-amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
CID 67671956
2-Amino-1-(3-chloro-2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
CID 67671958
(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-3-methyl-4-(2-methylphenyl)butan-1-ol
CID 67671959
(1R,2R)-2-amino-1-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
CID 67672748
(1R)-1-amino-3-(3-chloro-2-fluorophenyl)-4-(2-chlorophenyl)-3-methylbutan-1-ol
CID 67672750
(1R)-1-amino-4-(2-chlorophenyl)-3-(2-fluorophenyl)-3-methylbutan-1-ol
CID 67672766

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol?
The IUPAC name of 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol (CID 123560963) is 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol.
What is the SMILES notation for 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol?
The canonical SMILES for 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol is CCC(CO)CC(N)Cc1ccc(-c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol?
The InChIKey is JSOOISBIFITWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClFNO/c1-2-13(12-23)9-17(22)10-14-3-5-15(6-4-14)18-11-16(20)7-8-19(18)21/h3-8,11,13,17,23H,2,9-10,12,22H2,1H3.
What are the key properties of 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol?
4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol has a molecular weight of 335.85 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-ethylpentan-1-ol is sourced from PubChem (CID 123560963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).