4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide

C14H20F2N2O — CID 80542917

IUPAC4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(6-7-17)14(19)18(3)10(2)11-4-5-12(15)13(16)8-11/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyLTSFNFGZXJFRPQ-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.47
Rot. Bonds5

About 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide

4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide (PubChem CID 80542917) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
PubChem CID80542917
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)C(C)c1ccc(F)c(F)c1
InChIInChI=1S/C14H20F2N2O/c1-9(6-7-17)14(19)18(3)10(2)11-4-5-12(15)13(16)8-11/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyLTSFNFGZXJFRPQ-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

2-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbutanamide
CID 65230074
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
N-[1-(3,4-difluorophenyl)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 46513201
3-(2-aminophenyl)-N-[1-(3,4-difluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 120608510
4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
N-[1-(3,4-difluorophenyl)ethyl]-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111331706
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 134026968

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide (CID 80542917) is 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide is CC(CCN)C(=O)N(C)C(C)c1ccc(F)c(F)c1.
What is the InChIKey of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide?
The InChIKey is LTSFNFGZXJFRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-9(6-7-17)14(19)18(3)10(2)11-4-5-12(15)13(16)8-11/h4-5,8-10H,6-7,17H2,1-3H3.
What are the key properties of 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide?
4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide 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 4-amino-N-[1-(3,4-difluorophenyl)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 80542917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).