1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C13H23ClF3NO — CID 65030419

IUPAC1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H23ClF3NO/c1-11-4-2-5-12(8-11,9-14)18-6-3-7-19-10-13(15,16)17/h11,18H,2-10H2,1H3
InChIKeyCUXUEMUFBGRESH-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.73
Rot. Bonds7

About 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 65030419) has the molecular formula C13H23ClF3NO and a molecular weight of 301.78 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID65030419
Molecular FormulaC13H23ClF3NO
Molecular Weight301.78 g/mol
Exact Mass301.14
IUPAC Name1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1CCCC(CCl)(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H23ClF3NO/c1-11-4-2-5-12(8-11,9-14)18-6-3-7-19-10-13(15,16)17/h11,18H,2-10H2,1H3
InChIKeyCUXUEMUFBGRESH-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 65030419) is 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CC1CCCC(CCl)(NCCCOCC(F)(F)F)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is CUXUEMUFBGRESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClF3NO/c1-11-4-2-5-12(8-11,9-14)18-6-3-7-19-10-13(15,16)17/h11,18H,2-10H2,1H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine has a molecular weight of 301.78 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 65030419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).