1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C16H25FN2O — CID 116770894

IUPAC1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cncc(F)c2)CCCCCC1
InChIInChI=1S/C16H25FN2O/c1-3-20-16(8-6-4-5-7-9-16)15(18-2)13-10-14(17)12-19-11-13/h10-12,15,18H,3-9H2,1-2H3
InChIKeyNXXISMUNNINCDR-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.61
Rot. Bonds5

About 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 116770894) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID116770894
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cncc(F)c2)CCCCCC1
InChIInChI=1S/C16H25FN2O/c1-3-20-16(8-6-4-5-7-9-16)15(18-2)13-10-14(17)12-19-11-13/h10-12,15,18H,3-9H2,1-2H3
InChIKeyNXXISMUNNINCDR-UHFFFAOYSA-N
XLogP3.61
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-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-ethoxycycloheptyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105278498
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
1-(1-ethoxycyclohexyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116763851
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
N-[(1-ethoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116764137
1-(5-ethoxy-3-pyridinyl)-1-(1-methoxycycloheptyl)-N-methylmethanamine
CID 116770057
1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
1-(1-ethoxycyclopentyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 116761853
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 116770894) is 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CCOC1(C(NC)c2cncc(F)c2)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is NXXISMUNNINCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-20-16(8-6-4-5-7-9-16)15(18-2)13-10-14(17)12-19-11-13/h10-12,15,18H,3-9H2,1-2H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 280.39 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 116770894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).