N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide

C14H21FN2O — CID 103108692

IUPACN-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)ccc1C
InChIInChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-9-12-8-13(15)7-6-10(12)2/h6-8,11,16H,5,9H2,1-4H3
InChIKeyBZEWZTCIURKJLG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide

N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide (PubChem CID 103108692) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
PubChem CID103108692
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NCc1cc(F)ccc1C
InChIInChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-9-12-8-13(15)7-6-10(12)2/h6-8,11,16H,5,9H2,1-4H3
InChIKeyBZEWZTCIURKJLG-UHFFFAOYSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(5-fluoro-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 103275902
N-ethyl-2-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-N-methylpropanamide
CID 103107033
(2R)-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide
CID 103944137
N-cyclopropyl-2-[(5-fluoro-2-methylphenyl)methylamino]propanamide
CID 105371388
N-ethyl-N-methyl-2-[(2,3,4-trihydroxyphenyl)methylamino]propanamide
CID 107731050
N-ethyl-2-[(4-methoxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103107281
2-N-[(5-fluoro-2-methylphenyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 115968005
N-ethyl-2-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylpropanamide
CID 103108687
2-[(3-cyano-5-fluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103108873
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
2-[(3-bromo-2,6-difluorophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 106263803

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide (CID 103108692) is N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide is CCN(C)C(=O)C(C)NCc1cc(F)ccc1C.
What is the InChIKey of N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
The InChIKey is BZEWZTCIURKJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-5-17(4)14(18)11(3)16-9-12-8-13(15)7-6-10(12)2/h6-8,11,16H,5,9H2,1-4H3.
What are the key properties of N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide?
N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-fluoro-2-methylphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 103108692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).