3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine

C10H11ClF3N — CID 66467241

IUPAC3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-15-9(10(12,13)14)6-7-4-2-3-5-8(7)11/h2-5,9,15H,6H2,1H3
InChIKeyPEJWVYXSZNKSAN-UHFFFAOYSA-N
MW237.65 g/mol
LogP3.03
Rot. Bonds3

About 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine

3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine (PubChem CID 66467241) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
PubChem CID66467241
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
SMILESCNC(Cc1ccccc1Cl)C(F)(F)F
InChIInChI=1S/C10H11ClF3N/c1-15-9(10(12,13)14)6-7-4-2-3-5-8(7)11/h2-5,9,15H,6H2,1H3
InChIKeyPEJWVYXSZNKSAN-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
2-(2-chlorophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61078717
4-(2-chlorophenyl)-N,3-dimethylbutan-2-amine
CID 60995305
1-(3-chloro-2-fluorophenyl)-3-methoxy-N,3-dimethylbutan-2-amine
CID 102857757
1-(2-chlorophenyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311717
1-(2-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312429
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
[1-(2-chlorophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-yl]hydrazine
CID 105223616
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-(2-chlorophenyl)-N-methyl-3-methyliminopropan-2-amine
CID 57464353
[1-(2-chlorophenyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241133

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The IUPAC name of 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine (CID 66467241) is 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine.
What is the SMILES notation for 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The canonical SMILES for 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine is CNC(Cc1ccccc1Cl)C(F)(F)F.
What is the InChIKey of 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
The InChIKey is PEJWVYXSZNKSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-15-9(10(12,13)14)6-7-4-2-3-5-8(7)11/h2-5,9,15H,6H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine?
3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine has a molecular weight of 237.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine is sourced from PubChem (CID 66467241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).