[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol

C15H14Cl2FNO — CID 43743261

IUPAC[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
SMILESCC(Nc1ccccc1CO)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9(14-11(16)6-7-12(18)15(14)17)19-13-5-3-2-4-10(13)8-20/h2-7,9,19-20H,8H2,1H3
InChIKeyZKZGZSQRBQEUGN-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.80
Rot. Bonds4

About [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol

[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol (PubChem CID 43743261) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
PubChem CID43743261
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol
SMILESCC(Nc1ccccc1CO)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-9(14-11(16)6-7-12(18)15(14)17)19-13-5-3-2-4-10(13)8-20/h2-7,9,19-20H,8H2,1H3
InChIKeyZKZGZSQRBQEUGN-UHFFFAOYSA-N
XLogP4.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-methylaniline
CID 43545032
4-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2-fluoroaniline
CID 43716586
2-chloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-methylaniline
CID 107631308
N-[(2-bromophenyl)methyl]-1-(2,6-dichloro-3-fluorophenyl)ethanamine
CID 63455463
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-2,5-dimethylaniline
CID 43545101
1-(2,6-dichloro-3-fluorophenyl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79756688
3,5-dichloro-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]aniline
CID 43545046
2,6-dichloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenol
CID 107679459
[2-[1-(4-chlorophenyl)propan-2-ylamino]phenyl]methanol
CID 103935860
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-1-phenylpropan-1-amine
CID 63478494
3-chloro-4-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]benzonitrile
CID 107807600
N-[1-(2,6-difluorophenyl)ethyl]-2-ethylaniline
CID 43094216

Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol?
The IUPAC name of [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol (CID 43743261) is [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol is CC(Nc1ccccc1CO)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol?
The InChIKey is ZKZGZSQRBQEUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9(14-11(16)6-7-12(18)15(14)17)19-13-5-3-2-4-10(13)8-20/h2-7,9,19-20H,8H2,1H3.
What are the key properties of [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol?
[2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol has a molecular weight of 314.19 g/mol, XLogP of 4.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43743261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).