3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

C14H20F3N — CID 43480587

IUPAC3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20F3N/c1-10(2)8-11-4-6-12(7-5-11)13(18-3)9-14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyZPTFQZXTJKDUTO-UHFFFAOYSA-N
MW259.31 g/mol
LogP4.10
Rot. Bonds5

About 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine

3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (PubChem CID 43480587) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
PubChem CID43480587
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
SMILESCNC(CC(F)(F)F)c1ccc(CC(C)C)cc1
InChIInChI=1S/C14H20F3N/c1-10(2)8-11-4-6-12(7-5-11)13(18-3)9-14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3
InChIKeyZPTFQZXTJKDUTO-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207182
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one
CID 80579598
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
3,3,3-trifluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43482181
1,1,1-trifluoro-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 115844350
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
[1-(4-ethylphenyl)-3,3,3-trifluoropropyl]hydrazine
CID 105206125
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63465310
1-(4-ethylphenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480542
3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine (CID 43480587) is 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is CNC(CC(F)(F)F)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
The InChIKey is ZPTFQZXTJKDUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-10(2)8-11-4-6-12(7-5-11)13(18-3)9-14(15,16)17/h4-7,10,13,18H,8-9H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine?
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine has a molecular weight of 259.31 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine is sourced from PubChem (CID 43480587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).