N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine

C13H17ClF3N — CID 123426290

IUPACN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(C)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17ClF3N/c1-8(2)18(4)9(3)10-5-11(13(15,16)17)7-12(14)6-10/h5-9H,1-4H3
InChIKeyRHZDGTBOSJUMQT-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.76
Rot. Bonds3

About N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine

N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine (PubChem CID 123426290) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
PubChem CID123426290
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC NameN-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)C(C)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H17ClF3N/c1-8(2)18(4)9(3)10-5-11(13(15,16)17)7-12(14)6-10/h5-9H,1-4H3
InChIKeyRHZDGTBOSJUMQT-UHFFFAOYSA-N
XLogP4.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N,2-dimethylpropane-2-sulfinamide
CID 123992017
1-[(2R)-butan-2-yl]-3-chloro-5-(trifluoromethyl)benzene
CID 118120315
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171234933
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512014
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-3,3,3-trifluoropropan-1-amine
CID 171215302
N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
(1R)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171244734
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol;hydrochloride
CID 171271413

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine (CID 123426290) is N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine is CC(C)N(C)C(C)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine?
The InChIKey is RHZDGTBOSJUMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N/c1-8(2)18(4)9(3)10-5-11(13(15,16)17)7-12(14)6-10/h5-9H,1-4H3.
What are the key properties of N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine?
N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine has a molecular weight of 279.73 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-5-(trifluoromethyl)phenyl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 123426290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).