3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine

C8H15ClF3NO — CID 115363591

IUPAC3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
SMILESCC(C)(CCl)CNCCOC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-7(2,5-9)6-13-3-4-14-8(10,11)12/h13H,3-6H2,1-2H3
InChIKeyCUIUDZTVTLQSJB-UHFFFAOYSA-N
MW233.66 g/mol
LogP2.38
Rot. Bonds6

About 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine

3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine (PubChem CID 115363591) has the molecular formula C8H15ClF3NO and a molecular weight of 233.66 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
PubChem CID115363591
Molecular FormulaC8H15ClF3NO
Molecular Weight233.66 g/mol
Exact Mass233.08
IUPAC Name3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
SMILESCC(C)(CCl)CNCCOC(F)(F)F
InChIInChI=1S/C8H15ClF3NO/c1-7(2,5-9)6-13-3-4-14-8(10,11)12/h13H,3-6H2,1-2H3
InChIKeyCUIUDZTVTLQSJB-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.66
LogP ≤ 52.38
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 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)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

4-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-1-amine
CID 106140213
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 115363475
N-(3-chloro-2,2-dimethylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103037242
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
N-(3-chloro-2,2-dimethylpropyl)nonan-1-amine
CID 115363470
2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
CID 62597446
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(trifluoromethoxy)ethanamine
CID 114757664
3-(2-methoxyethylamino)-2,2-dimethylpropan-1-ol
CID 81413606
4-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 106139906
methyl 2-chloro-3-[2-(trifluoromethoxy)ethylamino]propanoate
CID 103491950
4-chloro-N-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylbutan-1-amine
CID 106140042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine (CID 115363591) is 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine is CC(C)(CCl)CNCCOC(F)(F)F.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine?
The InChIKey is CUIUDZTVTLQSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF3NO/c1-7(2,5-9)6-13-3-4-14-8(10,11)12/h13H,3-6H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine?
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine has a molecular weight of 233.66 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 115363591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).