2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol

C16H17ClFNO — CID 61045087

IUPAC2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol
SMILESCC(CO)(NCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-16(11-20,13-7-8-15(18)14(17)9-13)19-10-12-5-3-2-4-6-12/h2-9,19-20H,10-11H2,1H3
InChIKeyBFEFPXPCPKZKRB-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.48
Rot. Bonds5

About 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol

2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol (PubChem CID 61045087) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol
PubChem CID61045087
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol
SMILESCC(CO)(NCc1ccccc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-16(11-20,13-7-8-15(18)14(17)9-13)19-10-12-5-3-2-4-6-12/h2-9,19-20H,10-11H2,1H3
InChIKeyBFEFPXPCPKZKRB-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride
CID 24184002
1-(3-Chlorophenyl)-2-[1-(3-fluoro-4-methylphenyl)propan-2-ylamino]ethanol;hydrochloride
CID 44522769
2-[4-[[1-(3-Chloro-4-fluorophenyl)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53607141
[(1S,3S)-7-chloro-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168271351
[(1S,3S)-6-chloro-7-fluoro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168273439
[(1S,3S)-7-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168278103
[(1S,3S)-7-chloro-1-(3,5-difluorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168279618
[(1S,3S)-7-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168287553
[(1S,3S)-6-chloro-1-(3-chloro-5-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168288767
[(1S,3S)-6-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 168296879
(1S)-2-(3-chloro-4-fluorophenyl)-3-(methylamino)-1-phenylpropan-1-ol
CID 118689233
2-[(3-Chlorobenzyl)amino]-1-phenylethanol hydrochloride
CID 6457628

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol (CID 61045087) is 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol is CC(CO)(NCc1ccccc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol?
The InChIKey is BFEFPXPCPKZKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-16(11-20,13-7-8-15(18)14(17)9-13)19-10-12-5-3-2-4-6-12/h2-9,19-20H,10-11H2,1H3.
What are the key properties of 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol?
2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-chloro-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61045087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).