1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

C16H17ClFNO — CID 62909049

IUPAC1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-11(20)13-5-8-16(15(17)9-13)19(2)10-12-3-6-14(18)7-4-12/h3-9,11,20H,10H2,1-2H3
InChIKeyNGYRDGBYIWIHOM-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.17
Rot. Bonds4

About 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol

1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (PubChem CID 62909049) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
PubChem CID62909049
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
SMILESCC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C16H17ClFNO/c1-11(20)13-5-8-16(15(17)9-13)19(2)10-12-3-6-14(18)7-4-12/h3-9,11,20H,10H2,1-2H3
InChIKeyNGYRDGBYIWIHOM-UHFFFAOYSA-N
XLogP4.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 63371054
4-[(1R)-1-aminoethyl]-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylaniline
CID 63369536
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1S)-1-[3-chloro-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939961
(1R)-1-[4-[(5-bromothiophen-3-yl)methyl-methylamino]-3-chlorophenyl]ethanol
CID 63371224
(1S)-1-[5-fluoro-2-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 78939980
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
1-[3-chloro-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]phenyl]ethanol
CID 62907848
1-[3-fluoro-4-[(4-methoxyphenyl)methyl-methylamino]phenyl]ethanol
CID 61417600
(1R)-1-[3-chloro-4-[2-methoxyethyl(methyl)amino]phenyl]ethanol
CID 63371408
4-[(1R)-1-aminoethyl]-N-benzyl-2-chloro-N-methylaniline
CID 63368307

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol (CID 62909049) is 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is CC(O)c1ccc(N(C)Cc2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is NGYRDGBYIWIHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-11(20)13-5-8-16(15(17)9-13)19(2)10-12-3-6-14(18)7-4-12/h3-9,11,20H,10H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol?
1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 293.77 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 62909049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).