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

C11H13ClF3N — CID 167531090

IUPACN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C11H13ClF3N/c1-7(2)16-6-8-5-9(12)3-4-10(8)11(13,14)15/h3-5,7,16H,6H2,1-2H3
InChIKeyBHQDMMBTLQWTGH-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.86
Rot. Bonds3

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

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine (PubChem CID 167531090) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
PubChem CID167531090
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC NameN-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C11H13ClF3N/c1-7(2)16-6-8-5-9(12)3-4-10(8)11(13,14)15/h3-5,7,16H,6H2,1-2H3
InChIKeyBHQDMMBTLQWTGH-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
N-[[5-chloro-2-(3,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 66160299
N-[[5-chloro-2-(4-methylphenyl)phenyl]methyl]propan-2-amine
CID 66160680
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
N-[(5-chloro-2-pyridin-2-ylphenyl)methyl]propan-2-amine
CID 66160704
N-[(5-chloro-2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 114847574
N-[[2-(azocan-1-yl)-5-chlorophenyl]methyl]propan-2-amine
CID 114847751
N-[(2-butyl-4-chlorophenyl)methyl]propan-2-amine
CID 106659183
N-[[5-chloro-2-(2,2-difluoroethoxy)phenyl]methyl]propan-2-amine
CID 54939567
N-[[5-chloro-2-(3,4-difluorophenyl)sulfanylphenyl]methyl]propan-2-amine
CID 114864276

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine (CID 167531090) is N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
The InChIKey is BHQDMMBTLQWTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-7(2)16-6-8-5-9(12)3-4-10(8)11(13,14)15/h3-5,7,16H,6H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine?
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine has a molecular weight of 251.68 g/mol, XLogP of 3.86, 3 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]propan-2-amine is sourced from PubChem (CID 167531090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).