2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol

C17H20FNO3 — CID 73211515

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCOc1ccc(CNCC(O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H20FNO3/c1-21-15-8-5-13(17(9-15)22-2)10-19-11-16(20)12-3-6-14(18)7-4-12/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyLYLZSLDDPHGQFP-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.67
Rot. Bonds7

About 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol

2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 73211515) has the molecular formula C17H20FNO3 and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
PubChem CID73211515
Molecular FormulaC17H20FNO3
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
SMILESCOc1ccc(CNCC(O)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C17H20FNO3/c1-21-15-8-5-13(17(9-15)22-2)10-19-11-16(20)12-3-6-14(18)7-4-12/h3-9,16,19-20H,10-11H2,1-2H3
InChIKeyLYLZSLDDPHGQFP-UHFFFAOYSA-N
XLogP2.67
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxyphenyl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115967968
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
1,5-bis[(2,4-dimethoxyphenyl)methylamino]-2,4-bis(3-fluorophenyl)pentan-3-one
CID 174559527
2-[(2-ethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 75875456
1-[4-(difluoromethoxy)phenyl]-2-[(2,5-difluorophenyl)methylamino]ethanol
CID 111424611
1-[(2,4-dimethoxyphenyl)methylamino]-3-ethoxypropan-2-ol
CID 63931950
1-(4-fluoro-3-methylphenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 82315000
(1S)-2-[(2-methoxyphenyl)methylamino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 46893460
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
1-[(2,5-difluorophenyl)methyl]-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 111102262
methyl 2-[4-[3-[(2,4-dimethoxyphenyl)methylamino]-2-hydroxypropoxy]phenyl]-3-(4-fluorophenyl)prop-2-enoate
CID 68773593
(1R)-1-(2,5-dimethoxyphenyl)-2-[(2,5-dimethoxyphenyl)methylamino]ethanol
CID 94809006

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol (CID 73211515) is 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol is COc1ccc(CNCC(O)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is LYLZSLDDPHGQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO3/c1-21-15-8-5-13(17(9-15)22-2)10-19-11-16(20)12-3-6-14(18)7-4-12/h3-9,16,19-20H,10-11H2,1-2H3.
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol?
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 305.35 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 73211515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).