N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine

C14H20F3N — CID 143698340

IUPACN-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-5-10(2)18(4)11(3)12-6-8-13(9-7-12)14(15,16)17/h6-11H,5H2,1-4H3/t10?,11-/m1/s1
InChIKeyFRNBYTVCTVPRAX-RRKGBCIJSA-N
MW259.31 g/mol
LogP4.50
Rot. Bonds4

About N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine

N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine (PubChem CID 143698340) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
PubChem CID143698340
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine
SMILESCCC(C)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H20F3N/c1-5-10(2)18(4)11(3)12-6-8-13(9-7-12)14(15,16)17/h6-11H,5H2,1-4H3/t10?,11-/m1/s1
InChIKeyFRNBYTVCTVPRAX-RRKGBCIJSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
N'-methyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]ethane-1,2-diamine
CID 62682731
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
2-methyl-3-[methyl-[1-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoic acid
CID 65071606
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
N'-ethyl-N'-[1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111183
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
N-methyl-N-[(1S)-1-[3-methyl-5-(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 59711097
2-[4-(trifluoromethyl)phenyl]butanenitrile
CID 66855883
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
(1S)-2-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butan-1-amine
CID 171231162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine?
The IUPAC name of N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine (CID 143698340) is N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine.
What is the SMILES notation for N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine?
The canonical SMILES for N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine is CCC(C)N(C)[C@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine?
The InChIKey is FRNBYTVCTVPRAX-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H20F3N/c1-5-10(2)18(4)11(3)12-6-8-13(9-7-12)14(15,16)17/h6-11H,5H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine?
N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine has a molecular weight of 259.31 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]butan-2-amine is sourced from PubChem (CID 143698340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).