1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

C15H13ClF3NO — CID 175254139

IUPAC1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)(c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3
InChIKeyJHPBKPXQEWBQPZ-UHFFFAOYSA-N
MW315.72 g/mol
LogP4.11
Rot. Bonds3

About 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine

1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (PubChem CID 175254139) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
PubChem CID175254139
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)(c2ccc(Cl)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13ClF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3
InChIKeyJHPBKPXQEWBQPZ-UHFFFAOYSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 175254129
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 164523179
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-chloro-4-methoxybenzene;sulfuryl dichloride
CID 87177696
(4-chlorophenyl)methanamine;(4-methoxyphenyl)methanamine
CID 69469244
anisole;1,4-dichlorobenzene
CID 175517246
1-chloro-4-[3-(4-methoxyphenyl)-3-methylbut-1-ynyl]benzene
CID 46854286
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine (CID 175254139) is 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)(c2ccc(Cl)cc2)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
The InChIKey is JHPBKPXQEWBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c1-21-13-8-4-11(5-9-13)14(20,15(17,18)19)10-2-6-12(16)7-3-10/h2-9H,20H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine?
1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine has a molecular weight of 315.72 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 175254139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).