2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide

C14H20F2N2O2 — CID 65225924

IUPAC2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-10(8-17)13(19)18-9(2)11-5-4-6-12(7-11)20-14(15)16/h4-7,9-10,14H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyJSXZPGXRVHLMNA-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.45
Rot. Bonds7

About 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide

2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide (PubChem CID 65225924) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
PubChem CID65225924
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
SMILESCCC(CN)C(=O)NC(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O2/c1-3-10(8-17)13(19)18-9(2)11-5-4-6-12(7-11)20-14(15)16/h4-7,9-10,14H,3,8,17H2,1-2H3,(H,18,19)
InChIKeyJSXZPGXRVHLMNA-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
5-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpentanamide
CID 82013441
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-methoxypropanamide
CID 81083665
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(4-methylphenyl)acetamide
CID 120667280
(2R)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 104907136
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
N-[1-[1-[3-(difluoromethoxy)phenyl]ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46476899
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
(2S,3S)-2-amino-3-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]pentanamide
CID 61178738
2-[1-[3-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352472
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide (CID 65225924) is 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide is CCC(CN)C(=O)NC(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide?
The InChIKey is JSXZPGXRVHLMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-3-10(8-17)13(19)18-9(2)11-5-4-6-12(7-11)20-14(15)16/h4-7,9-10,14H,3,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide?
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide has a molecular weight of 286.32 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide is sourced from PubChem (CID 65225924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).