2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide

C14H20F2N2O — CID 65230074

IUPAC2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-10(8-17)14(19)18(3)9(2)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8,17H2,1-3H3
InChIKeyBKTMIESAASOQJD-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.47
Rot. Bonds5

About 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide

2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide (PubChem CID 65230074) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
PubChem CID65230074
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
SMILESCCC(CN)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-4-10(8-17)14(19)18(3)9(2)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8,17H2,1-3H3
InChIKeyBKTMIESAASOQJD-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 80542917
2-(aminomethyl)-N-methyl-N-(1-pyridin-4-ylethyl)butanamide
CID 65227260
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
N-[1-(3,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 78778244
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-(aminomethyl)-N-methyl-N-(1-phenylethyl)pentanamide
CID 65230078
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
2-[cyclopropyl(ethyl)amino]-N-[1-(3,4-difluorophenyl)ethyl]-N-methylacetamide
CID 78897751
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide (CID 65230074) is 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide is CCC(CN)C(=O)N(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide?
The InChIKey is BKTMIESAASOQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-4-10(8-17)14(19)18(3)9(2)11-5-6-12(15)13(16)7-11/h5-7,9-10H,4,8,17H2,1-3H3.
What are the key properties of 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide?
2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide has a molecular weight of 270.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 65230074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).