2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine

C17H26FNO — CID 116772276

IUPAC2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-3-20-17(13-8-5-4-6-9-13)16(19-2)14-10-7-11-15(18)12-14/h7,10-13,16-17,19H,3-6,8-9H2,1-2H3
InChIKeyHVDQRWJJHPPTQA-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.07
Rot. Bonds6

About 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine

2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine (PubChem CID 116772276) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
PubChem CID116772276
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1cccc(F)c1
InChIInChI=1S/C17H26FNO/c1-3-20-17(13-8-5-4-6-9-13)16(19-2)14-10-7-11-15(18)12-14/h7,10-13,16-17,19H,3-6,8-9H2,1-2H3
InChIKeyHVDQRWJJHPPTQA-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine 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-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
2-cyclopropyl-2-ethoxy-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 116723511
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 116723469
2-cyclopropyl-2-ethoxy-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 116723346
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
2-cyclohexyl-1-(3-fluoro-5-methylphenyl)-2-methoxy-N-methylethanamine
CID 116771626
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 116772291
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine (CID 116772276) is 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine is CCOC(C1CCCCC1)C(NC)c1cccc(F)c1.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine?
The InChIKey is HVDQRWJJHPPTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-20-17(13-8-5-4-6-9-13)16(19-2)14-10-7-11-15(18)12-14/h7,10-13,16-17,19H,3-6,8-9H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine?
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine has a molecular weight of 279.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 116772276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).