2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol

C15H15ClFNO — CID 114750493

IUPAC2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2
InChIKeyNFXZLWBHKDQLBD-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.30
Rot. Bonds5

About 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol

2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol (PubChem CID 114750493) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
PubChem CID114750493
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol
SMILESOCC(NCc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C15H15ClFNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2
InChIKeyNFXZLWBHKDQLBD-UHFFFAOYSA-N
XLogP3.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
(2R)-2-[(4-bromo-2-chlorophenyl)methylamino]-2-phenylethanol
CID 103766322
(1S)-N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104979988
N-[(4-chloro-2-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 114841425
2-[(2,6-dichlorophenyl)methylamino]-2-phenylethanol
CID 63182715
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
CID 114855283
2-(benzylamino)-2-(4-chlorophenyl)ethanol
CID 61046547
(2R)-2-[(2,3-dichlorophenyl)methylamino]-2-phenylethanol
CID 95026876
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
2-[(5-chloro-2-pyridinyl)methylamino]-2-phenylethanol
CID 110013489
(2R)-2-phenyl-2-[(2,3,6-trichlorophenyl)methylamino]ethanol
CID 107862655
3-[1-[(4-chloro-2-fluorophenyl)methylamino]ethyl]phenol
CID 114842006

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol?
The IUPAC name of 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol (CID 114750493) is 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol.
What is the SMILES notation for 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol?
The canonical SMILES for 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol is OCC(NCc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol?
The InChIKey is NFXZLWBHKDQLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c16-13-7-6-12(14(17)8-13)9-18-15(10-19)11-4-2-1-3-5-11/h1-8,15,18-19H,9-10H2.
What are the key properties of 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol?
2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol has a molecular weight of 279.74 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-fluorophenyl)methylamino]-2-phenylethanol is sourced from PubChem (CID 114750493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).