2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine

C16H25FN2O — CID 116771778

IUPAC2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
SMILESCCNC(c1ccncc1F)C(OC)C1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-3-19-15(13-9-10-18-11-14(13)17)16(20-2)12-7-5-4-6-8-12/h9-12,15-16,19H,3-8H2,1-2H3
InChIKeyXYQGEEFSZIERKF-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.47
Rot. Bonds6

About 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine

2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine (PubChem CID 116771778) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
PubChem CID116771778
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine
SMILESCCNC(c1ccncc1F)C(OC)C1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-3-19-15(13-9-10-18-11-14(13)17)16(20-2)12-7-5-4-6-8-12/h9-12,15-16,19H,3-8H2,1-2H3
InChIKeyXYQGEEFSZIERKF-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine with MolForge

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Related Compounds

N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
1-(3-bromo-2-fluorophenyl)-2-cyclohexyl-N-ethyl-2-methoxyethanamine
CID 106646184
3-(2-cyclohexyl-1-hydrazinyl-2-methoxyethyl)pyridin-4-amine
CID 105278630
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
N-[(3-fluoro-4-pyridinyl)-(thian-2-yl)methyl]ethanamine
CID 113447287
N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
N-[2-cyclopropyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethyl]propan-1-amine
CID 102708548
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
N-[(3-ethylcyclopentyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 113447257
N-[(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 105038430
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine?
The IUPAC name of 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine (CID 116771778) is 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine is CCNC(c1ccncc1F)C(OC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine?
The InChIKey is XYQGEEFSZIERKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-19-15(13-9-10-18-11-14(13)17)16(20-2)12-7-5-4-6-8-12/h9-12,15-16,19H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine?
2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine has a molecular weight of 280.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethanamine is sourced from PubChem (CID 116771778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).