4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide

C15H23FN2O — CID 115157141

IUPAC4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
SMILESCN(CCc1cccc(F)c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C15H23FN2O/c1-15(2,8-9-17)14(19)18(3)10-7-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeyPBRIPSBHVYKFTF-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds6

About 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide

4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide (PubChem CID 115157141) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
PubChem CID115157141
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide
SMILESCN(CCc1cccc(F)c1)C(=O)C(C)(C)CCN
InChIInChI=1S/C15H23FN2O/c1-15(2,8-9-17)14(19)18(3)10-7-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3
InChIKeyPBRIPSBHVYKFTF-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 115168709
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
3-amino-N,2,2-trimethyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 119706013
4-amino-N-[(3-bromophenyl)methyl]-N,2,2-trimethylbutanamide
CID 114285595
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
2-amino-N-[2-(3-fluorophenyl)ethyl]-2-methyl-N-propylpentanamide;hydrochloride
CID 119786850
N,2-dimethyl-2-(methylamino)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 115165838
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119267070
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
N-[2-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 115190351
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide (CID 115157141) is 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide is CN(CCc1cccc(F)c1)C(=O)C(C)(C)CCN.
What is the InChIKey of 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide?
The InChIKey is PBRIPSBHVYKFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(2,8-9-17)14(19)18(3)10-7-12-5-4-6-13(16)11-12/h4-6,11H,7-10,17H2,1-3H3.
What are the key properties of 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide?
4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide has a molecular weight of 266.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-fluorophenyl)ethyl]-N,2,2-trimethylbutanamide is sourced from PubChem (CID 115157141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).