1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

C17H26FNO2 — CID 116763851

IUPAC1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(OC)c(F)c2)CCCCC1
InChIInChI=1S/C17H26FNO2/c1-4-21-17(10-6-5-7-11-17)16(19-2)13-8-9-15(20-3)14(18)12-13/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyIVKDWHYGTOCUGW-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.83
Rot. Bonds6

About 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine

1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (PubChem CID 116763851) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
PubChem CID116763851
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2ccc(OC)c(F)c2)CCCCC1
InChIInChI=1S/C17H26FNO2/c1-4-21-17(10-6-5-7-11-17)16(19-2)13-8-9-15(20-3)14(18)12-13/h8-9,12,16,19H,4-7,10-11H2,1-3H3
InChIKeyIVKDWHYGTOCUGW-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine 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

1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(3,4-difluorophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765724
[(3,4-difluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105275720
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958531
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine (CID 116763851) is 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is CCOC1(C(NC)c2ccc(OC)c(F)c2)CCCCC1.
What is the InChIKey of 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
The InChIKey is IVKDWHYGTOCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-4-21-17(10-6-5-7-11-17)16(19-2)13-8-9-15(20-3)14(18)12-13/h8-9,12,16,19H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine?
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine has a molecular weight of 295.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 116763851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).