1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine

C16H17ClFNO — CID 82540185

IUPAC1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cl)c(-c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H17ClFNO/c1-10(19-2)11-4-6-15(17)13(8-11)14-9-12(18)5-7-16(14)20-3/h4-10,19H,1-3H3
InChIKeyUACIHOOBNOEQJS-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine

1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine (PubChem CID 82540185) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
PubChem CID82540185
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(Cl)c(-c2cc(F)ccc2OC)c1
InChIInChI=1S/C16H17ClFNO/c1-10(19-2)11-4-6-15(17)13(8-11)14-9-12(18)5-7-16(14)20-3/h4-10,19H,1-3H3
InChIKeyUACIHOOBNOEQJS-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]ethanamine
CID 82541770
1-[4-fluoro-3-(2-methoxy-5-methylphenyl)phenyl]-N-methylethanamine
CID 82540228
1-[4-(2-chloro-4-fluorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 60966128
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
1-[4-methoxy-3-(4-methylphenyl)phenyl]-N-methylethanamine
CID 82540557
1-chloro-2-(5-ethynyl-2-methoxyphenyl)-4-fluorobenzene
CID 172653850
1-[4-chloro-3-(2-methoxy-5-methylphenyl)phenyl]ethanamine
CID 82541808
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]-N-methylethanamine
CID 114345847
1-[5-(2-chloro-5-fluorophenyl)thiophen-2-yl]-N-methylethanamine
CID 107530688
1-(2-chloro-4,5-dimethoxyphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43486364
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine (CID 82540185) is 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(Cl)c(-c2cc(F)ccc2OC)c1.
What is the InChIKey of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine?
The InChIKey is UACIHOOBNOEQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-10(19-2)11-4-6-15(17)13(8-11)14-9-12(18)5-7-16(14)20-3/h4-10,19H,1-3H3.
What are the key properties of 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine?
1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine has a molecular weight of 293.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(5-fluoro-2-methoxyphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82540185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).