1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine

C15H14ClF2NO — CID 79700846

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cc(F)cc(F)c2)ccc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-20-15-7-10(2-3-13(15)16)14(19)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyDKFJPOJQGPPVPI-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.87
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine

1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine (PubChem CID 79700846) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
PubChem CID79700846
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
SMILESCOc1cc(C(N)Cc2cc(F)cc(F)c2)ccc1Cl
InChIInChI=1S/C15H14ClF2NO/c1-20-15-7-10(2-3-13(15)16)14(19)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,14H,6,19H2,1H3
InChIKeyDKFJPOJQGPPVPI-UHFFFAOYSA-N
XLogP3.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
1-(4-chloro-3-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 107988738
(4-chloro-3-methoxyphenyl)-(4-fluorophenyl)methanamine
CID 79701060
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 60955806
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(3S)-3-amino-3-(4-chloro-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260112

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine (CID 79700846) is 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine is COc1cc(C(N)Cc2cc(F)cc(F)c2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is DKFJPOJQGPPVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-20-15-7-10(2-3-13(15)16)14(19)6-9-4-11(17)8-12(18)5-9/h2-5,7-8,14H,6,19H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine?
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 297.73 g/mol, XLogP of 3.87, 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-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 79700846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).