N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide

C15H23FN2O — CID 115272485

IUPACN-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
SMILESCc1cc(CCC(=O)N(C)CC(C)CN)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11(9-17)10-18(3)15(19)7-5-13-4-6-14(16)12(2)8-13/h4,6,8,11H,5,7,9-10,17H2,1-3H3
InChIKeyZEDZXZKGIPOBAF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.12
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide

N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide (PubChem CID 115272485) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
PubChem CID115272485
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide
SMILESCc1cc(CCC(=O)N(C)CC(C)CN)ccc1F
InChIInChI=1S/C15H23FN2O/c1-11(9-17)10-18(3)15(19)7-5-13-4-6-14(16)12(2)8-13/h4,6,8,11H,5,7,9-10,17H2,1-3H3
InChIKeyZEDZXZKGIPOBAF-UHFFFAOYSA-N
XLogP2.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 115272486
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N,3-dimethylbutanamide
CID 115187558
N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141021
2-N-[2-(4-fluoro-3-methylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 117040092
N-[(4-fluoro-3-methylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202640
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
CID 62122108
N-(3-amino-2-methylpropyl)-2,5-difluoro-N-methylbenzamide
CID 54991847
2-(aminomethyl)-N-[(4-fluoro-3-methylphenyl)methyl]-N-methylbutanamide
CID 115187012
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
1-chloro-4-(4-fluoro-3-methylphenyl)butan-2-one
CID 134085976
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide (CID 115272485) is N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide is Cc1cc(CCC(=O)N(C)CC(C)CN)ccc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide?
The InChIKey is ZEDZXZKGIPOBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(9-17)10-18(3)15(19)7-5-13-4-6-14(16)12(2)8-13/h4,6,8,11H,5,7,9-10,17H2,1-3H3.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide?
N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide has a molecular weight of 266.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-fluoro-3-methylphenyl)-N-methylpropanamide is sourced from PubChem (CID 115272485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).