1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C12H12ClF6NO — CID 103309625

IUPAC1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12ClF6NO/c1-20-9(10(11(14,15)16)12(17,18)19)7-4-3-6(21-2)5-8(7)13/h3-5,9-10,20H,1-2H3
InChIKeyHCBCDVUODZTTGI-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103309625) has the molecular formula C12H12ClF6NO and a molecular weight of 335.68 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103309625
Molecular FormulaC12H12ClF6NO
Molecular Weight335.68 g/mol
Exact Mass335.05
IUPAC Name1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1ccc(OC)cc1Cl)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H12ClF6NO/c1-20-9(10(11(14,15)16)12(17,18)19)7-4-3-6(21-2)5-8(7)13/h3-5,9-10,20H,1-2H3
InChIKeyHCBCDVUODZTTGI-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 43561856
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 107476243
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(4-chloro-2,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309678
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103309625) is 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1ccc(OC)cc1Cl)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is HCBCDVUODZTTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF6NO/c1-20-9(10(11(14,15)16)12(17,18)19)7-4-3-6(21-2)5-8(7)13/h3-5,9-10,20H,1-2H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 335.68 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103309625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).