3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine

C10H18F3NO — CID 43752921

IUPAC3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
SMILESCC1CCC(OC(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyYIMZEHVYAFREGW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine

3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine (PubChem CID 43752921) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
PubChem CID43752921
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
SMILESCC1CCC(OC(CN)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3
InChIKeyYIMZEHVYAFREGW-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-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

2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62566700
1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
2-(4,4-dimethylcyclohexyl)oxy-3,3-dimethylbutan-1-amine
CID 114340565
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 89381859
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
2-(4-methylcyclohexyl)oxy-2-(2-methylphenyl)ethanamine
CID 55019101
N-ethyl-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 62444134
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
CID 103372243
O-(4-methylcyclohexyl)hydroxylamine
CID 22057712

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine (CID 43752921) is 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine is CC1CCC(OC(CN)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine?
The InChIKey is YIMZEHVYAFREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-2-4-8(5-3-7)15-9(6-14)10(11,12)13/h7-9H,2-6,14H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine?
3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 43752921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).