3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide

C15H23FN2O2 — CID 114839771

IUPAC3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
SMILESCOc1cc(NC(=O)CC(CN)CC(C)C)ccc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)6-11(9-17)7-15(19)18-12-4-5-13(16)14(8-12)20-3/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyXHIMNRVINZDFLA-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.78
Rot. Bonds7

About 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide

3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide (PubChem CID 114839771) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
PubChem CID114839771
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide
SMILESCOc1cc(NC(=O)CC(CN)CC(C)C)ccc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)6-11(9-17)7-15(19)18-12-4-5-13(16)14(8-12)20-3/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeyXHIMNRVINZDFLA-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-fluoro-3-methoxyphenyl)-3-sulfanylidenepropanamide
CID 114839886
(3Z)-3-amino-N-(4-fluoro-3-methoxyphenyl)-3-hydroxyiminopropanamide
CID 114840498
3-(aminomethyl)-N-(4-methoxy-3-methylphenyl)pentanamide
CID 81086588
2-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)acetamide
CID 114839640
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
3-(aminomethyl)-N-(3-fluoro-4-pyridinyl)-5-methylhexanamide
CID 107594988
3-(aminomethyl)-N-(2-cyano-6-methoxyphenyl)-5-methylhexanamide
CID 107467787
3-(4-fluoro-3-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 114899105
3-(ethylamino)-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839717
4-amino-3-(4-fluoro-3-methoxyanilino)-N-propylbutanamide
CID 114838945
2-amino-N-(4-fluoro-3-methoxyphenyl)-2-methylpropanamide
CID 114839711
3-amino-2-(4-fluoro-3-methoxyanilino)propan-1-ol
CID 114839015

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide?
The IUPAC name of 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide (CID 114839771) is 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide?
The canonical SMILES for 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide is COc1cc(NC(=O)CC(CN)CC(C)C)ccc1F.
What is the InChIKey of 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide?
The InChIKey is XHIMNRVINZDFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)6-11(9-17)7-15(19)18-12-4-5-13(16)14(8-12)20-3/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19).
What are the key properties of 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide?
3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide has a molecular weight of 282.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-5-methylhexanamide is sourced from PubChem (CID 114839771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).