2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol

C12H17ClFNO — CID 81152208

IUPAC2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-7(2)5-11(15)12(16)8-3-4-10(14)9(13)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3
InChIKeyVZNCVOZNGRGMAG-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.89
Rot. Bonds4

About 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol

2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol (PubChem CID 81152208) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
PubChem CID81152208
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
SMILESCC(C)CC(N)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H17ClFNO/c1-7(2)5-11(15)12(16)8-3-4-10(14)9(13)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3
InChIKeyVZNCVOZNGRGMAG-UHFFFAOYSA-N
XLogP2.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-bromo-3-fluorophenyl)-4-methylpentan-1-ol
CID 81437103
2-amino-4-methyl-1-(4-propan-2-ylphenyl)pentan-1-ol
CID 62763785
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 123991915
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)-5-methylhexan-2-ol
CID 171261448
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
(3R,4S)-4-(3-chloro-4-fluorophenyl)-3,4-dihydroxybutan-2-one
CID 101434989
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol?
The IUPAC name of 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol (CID 81152208) is 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol?
The canonical SMILES for 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol is CC(C)CC(N)C(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol?
The InChIKey is VZNCVOZNGRGMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-7(2)5-11(15)12(16)8-3-4-10(14)9(13)6-8/h3-4,6-7,11-12,16H,5,15H2,1-2H3.
What are the key properties of 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol?
2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol has a molecular weight of 245.72 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol is sourced from PubChem (CID 81152208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).