2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol

C16H17ClFNO — CID 103881517

IUPAC2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNO/c17-15-8-4-7-14(16(15)18)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyMACJOEBIJOBCOH-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.47
Rot. Bonds6

About 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol

2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol (PubChem CID 103881517) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
PubChem CID103881517
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H17ClFNO/c17-15-8-4-7-14(16(15)18)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2
InChIKeyMACJOEBIJOBCOH-UHFFFAOYSA-N
XLogP3.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol 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-[benzyl-[(2,6-dichlorophenyl)methyl]amino]ethanol
CID 6456340
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
4-[[(3-chloro-2-fluorophenyl)methyl-ethylamino]methyl]aniline
CID 102856212
2-[benzyl(2-fluoroethyl)amino]ethanol
CID 80601443
2-[benzyl-[(3,6-dichloro-2-pyridinyl)methyl]amino]ethanol
CID 62890775
N'-benzyl-N'-[(2,3-dichlorophenyl)methyl]-N,N-dimethylethane-1,2-diamine
CID 20628585
2-[(3-chloro-2-fluorophenyl)methyl-ethylamino]acetic acid
CID 114489081
2-[(6-amino-3-chloro-2-pyridinyl)methyl-benzylamino]ethanol
CID 62892350
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[benzyl(2-hydroxyethyl)amino]ethanol
CID 158603014
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol (CID 103881517) is 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol?
The InChIKey is MACJOEBIJOBCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c17-15-8-4-7-14(16(15)18)12-19(9-10-20)11-13-5-2-1-3-6-13/h1-8,20H,9-12H2.
What are the key properties of 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol?
2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol has a molecular weight of 293.77 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3-chloro-2-fluorophenyl)methyl]amino]ethanol is sourced from PubChem (CID 103881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).