4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide

C14H21FN2O — CID 115156948

IUPAC4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
SMILESCc1cc(N(C)C(=O)C(C)(C)CCN)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10-9-11(5-6-12(10)15)17(4)13(18)14(2,3)7-8-16/h5-6,9H,7-8,16H2,1-4H3
InChIKeyWGSJDYMIHHRNRG-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide

4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide (PubChem CID 115156948) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
PubChem CID115156948
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide
SMILESCc1cc(N(C)C(=O)C(C)(C)CCN)ccc1F
InChIInChI=1S/C14H21FN2O/c1-10-9-11(5-6-12(10)15)17(4)13(18)14(2,3)7-8-16/h5-6,9H,7-8,16H2,1-4H3
InChIKeyWGSJDYMIHHRNRG-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-bromophenyl)-N,2,2-trimethylbutanamide
CID 115156946
4-amino-N-(2,4-dimethylphenyl)-N,2,2-trimethylbutanamide
CID 115156953
2-(aminomethyl)-N-(4-fluoro-3-methylphenyl)-N-methylbutanamide
CID 115186879
methyl 4-(4-fluoro-N,3-dimethylanilino)-4-oxobutanoate
CID 115174602
3-amino-4-(4-fluoro-N,3-dimethylanilino)-4-oxobutanoic acid
CID 115181260
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
N-[3-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209459
2-[(4-fluoro-3-methylphenyl)-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115165352
3-amino-N-[(4-fluoro-3-methylphenyl)methyl]-2,2-dimethylpropanamide
CID 115154630
4-amino-1-(5-bromo-2-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916389
4-amino-1-(3-chloro-4-fluorophenyl)-2,2-dimethylbutan-1-one
CID 116916367
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide (CID 115156948) is 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide is Cc1cc(N(C)C(=O)C(C)(C)CCN)ccc1F.
What is the InChIKey of 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide?
The InChIKey is WGSJDYMIHHRNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10-9-11(5-6-12(10)15)17(4)13(18)14(2,3)7-8-16/h5-6,9H,7-8,16H2,1-4H3.
What are the key properties of 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide?
4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-3-methylphenyl)-N,2,2-trimethylbutanamide is sourced from PubChem (CID 115156948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).