1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine

C18H28FNO — CID 116770809

IUPAC1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)cc2)NC)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-21-18(12-6-4-5-7-13-18)17(20-2)14-15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyGAVSHPINIBIUNS-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.09
Rot. Bonds6

About 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine

1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine (PubChem CID 116770809) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
PubChem CID116770809
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(F)cc2)NC)CCCCCC1
InChIInChI=1S/C18H28FNO/c1-3-21-18(12-6-4-5-7-13-18)17(20-2)14-15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3
InChIKeyGAVSHPINIBIUNS-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-ethoxycycloheptyl)-2-(4-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-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763865
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
1-(1-ethoxycyclopentyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 116762035
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
[2-(3,5-difluorophenyl)-1-(1-ethoxycyclohexyl)ethyl]hydrazine
CID 105413025
[2-(4-chlorophenyl)-1-(1-ethoxycycloheptyl)ethyl]hydrazine
CID 105278524
2-(4-bromophenyl)-1-(4-ethoxyoxan-4-yl)-N-methylethanamine
CID 116765716
[2-(4-fluorophenyl)-1-(1-methoxycycloheptyl)ethyl]hydrazine
CID 105278155
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine (CID 116770809) is 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine is CCOC1(C(Cc2ccc(F)cc2)NC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine?
The InChIKey is GAVSHPINIBIUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-21-18(12-6-4-5-7-13-18)17(20-2)14-15-8-10-16(19)11-9-15/h8-11,17,20H,3-7,12-14H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine?
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine has a molecular weight of 293.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 116770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).