3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

C16H24F3NO — CID 43110151

IUPAC3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)COCCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-21-10-4-9-20-13(3)14-5-7-15(8-6-14)16(17,18)19/h5-8,12-13,20H,4,9-11H2,1-3H3
InChIKeyGWXGCBSMMYDRRT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.42
Rot. Bonds8

About 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine

3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (PubChem CID 43110151) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
PubChem CID43110151
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine
SMILESCC(C)COCCCNC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3NO/c1-12(2)11-21-10-4-9-20-13(3)14-5-7-15(8-6-14)16(17,18)19/h5-8,12-13,20H,4,9-11H2,1-3H3
InChIKeyGWXGCBSMMYDRRT-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl((1-(4-(trifluoromethyl)phenyl)ethyl))amine
CID 21251050
N-(1-phenylcyclohexyl)-3-ethoxypropanamine
CID 23584939
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972
Benzenemethanamine, N-butyl-4-(trifluoromethyl)-
CID 485423
N-(1-Methylethyl)-4-(trifluoromethyl)benzenemethanamine
CID 19826566
N-(2,6-difluorobenzyl)-1-methoxypropan-2-amine
CID 2851055
N-(4-isopropylbenzyl)-2-methoxyethanamine hydrochloride
CID 6463016
N-(3-Methoxypropyl)-1-phenylcyclohexanamine
CID 60209993
Phenethylamine, N-(2-ethoxyethyl)-alpha-methyl-m-trifluoromethyl-
CID 3057530
2-Morpholin-4-Yl-2-[4-(Trifluoromethyl)Phenyl]Ethylamine
CID 3871090
Methyl((1-(4-(2-methylpropyl)phenyl)ethyl))amine
CID 16772752
[(4-Ethylphenyl)methyl](2-methoxyethyl)amine hydrochloride
CID 17295529

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine (CID 43110151) is 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is CC(C)COCCCNC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
The InChIKey is GWXGCBSMMYDRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-12(2)11-21-10-4-9-20-13(3)14-5-7-15(8-6-14)16(17,18)19/h5-8,12-13,20H,4,9-11H2,1-3H3.
What are the key properties of 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine?
3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropoxy)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 43110151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).