3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine

C12H15ClF3N — CID 170865230

IUPAC3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3N/c1-17(2)7-3-4-9-5-6-11(13)10(8-9)12(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyILTWBNZROWPRDI-UHFFFAOYSA-N
MW265.71 g/mol
LogP3.85
Rot. Bonds4

About 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine

3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine (PubChem CID 170865230) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
PubChem CID170865230
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C12H15ClF3N/c1-17(2)7-3-4-9-5-6-11(13)10(8-9)12(14,15)16/h5-6,8H,3-4,7H2,1-2H3
InChIKeyILTWBNZROWPRDI-UHFFFAOYSA-N
XLogP3.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

13-(3,4-dichlorophenyl)-N,N-dimethyltridecan-1-amine
CID 53446484
3-[4-(4-chloro-3-fluorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170866005
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
4-butyl-1-[3-(3,4-dichlorophenyl)propoxy]-2-(trifluoromethyl)benzene
CID 66596590
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl cyanate
CID 141397499
4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
CID 71388387
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[3-(dimethylamino)propyl]oxamide
CID 108515808
2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
CID 5004685
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
N,N-dimethyl-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 170865959

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine (CID 170865230) is 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
The InChIKey is ILTWBNZROWPRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-17(2)7-3-4-9-5-6-11(13)10(8-9)12(14,15)16/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine?
3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine has a molecular weight of 265.71 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).