N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine

C13H18F3N — CID 64718532

IUPACN-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(C)CC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-9(7-10(2)17-3)11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3
InChIKeyCKJWUWYIVOFBJJ-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.81
Rot. Bonds4

About N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine

N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 64718532) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID64718532
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC NameN-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCNC(C)CC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3N/c1-9(7-10(2)17-3)11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3
InChIKeyCKJWUWYIVOFBJJ-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
1-(4-chloropentan-2-yl)-3-(trifluoromethyl)benzene
CID 64718796
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80605581
N-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81019920
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
3-[3-[3-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221372
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine (CID 64718532) is N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine is CNC(C)CC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is CKJWUWYIVOFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-9(7-10(2)17-3)11-5-4-6-12(8-11)13(14,15)16/h4-6,8-10,17H,7H2,1-3H3.
What are the key properties of N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine?
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 245.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 64718532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).