2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine

C16H17ClFNO — CID 106791439

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-12(15(8-10)20-2)14(19)9-11-4-3-5-13(18)16(11)17/h3-8,14H,9,19H2,1-2H3
InChIKeyRWEPESRHZQJNGN-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791439) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791439
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1cccc(F)c1Cl
InChIInChI=1S/C16H17ClFNO/c1-10-6-7-12(15(8-10)20-2)14(19)9-11-4-3-5-13(18)16(11)17/h3-8,14H,9,19H2,1-2H3
InChIKeyRWEPESRHZQJNGN-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115983920
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107309207
1-(2,3-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826541
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(2-bromo-3-fluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826712
2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791515
2-(3-chloro-2-fluorophenyl)-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 102857818
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 105032520
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(2,3-dichlorophenyl)-1-(2-methoxy-4-methylphenyl)ethanol
CID 107308318

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791439) is 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is COc1cc(C)ccc1C(N)Cc1cccc(F)c1Cl.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is RWEPESRHZQJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10-6-7-12(15(8-10)20-2)14(19)9-11-4-3-5-13(18)16(11)17/h3-8,14H,9,19H2,1-2H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).