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

C12H15ClF3N — CID 167531092

IUPACN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3N/c1-8(2)6-17-7-9-5-10(13)3-4-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyTZEKBZWEXTYULW-UHFFFAOYSA-N
MW265.71 g/mol
LogP4.10
Rot. Bonds4

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

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 167531092) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID167531092
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C12H15ClF3N/c1-8(2)6-17-7-9-5-10(13)3-4-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3
InChIKeyTZEKBZWEXTYULW-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
N-[(5-chloro-2-methylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864701
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
1-[(5-chloro-2-fluorophenyl)methylamino]propan-2-ol
CID 82471992
4-chloro-N-(2,2-dimethylpropyl)-N-methyl-2-[(2-methylpropylamino)methyl]aniline
CID 114850364
2-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 114865242
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
N-[(2-benzylsulfanyl-4-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 114863938
N-[[5-chloro-2-(4-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114855144
2-(2,4-dichlorophenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63517804
N-[4-chloro-2-[(2-methylpropylamino)methyl]phenyl]-N-methyloxolan-3-amine
CID 114852955

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine (CID 167531092) is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is TZEKBZWEXTYULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N/c1-8(2)6-17-7-9-5-10(13)3-4-11(9)12(14,15)16/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 265.71 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 167531092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).