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

C15H23FN2O — CID 115157456

IUPAC4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCN(CCc1ccccc1F)C(=O)CC(C)(C)CN
InChIInChI=1S/C15H23FN2O/c1-15(2,11-17)10-14(19)18(3)9-8-12-6-4-5-7-13(12)16/h4-7H,8-11,17H2,1-3H3
InChIKeyXYCHXLVZHDAHNM-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds6

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

4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 115157456) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
PubChem CID115157456
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCN(CCc1ccccc1F)C(=O)CC(C)(C)CN
InChIInChI=1S/C15H23FN2O/c1-15(2,11-17)10-14(19)18(3)9-8-12-6-4-5-7-13(12)16/h4-7H,8-11,17H2,1-3H3
InChIKeyXYCHXLVZHDAHNM-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

4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
CID 115157287
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 115157383
5-[2-(2-fluorophenyl)ethyl-methylamino]-5-oxopentanoic acid
CID 94695505
N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
2-(aminomethyl)-N-[2-(2-fluorophenyl)ethyl]-N-methylbutanamide
CID 115187094
2-[2-(2-fluorophenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128165
3-amino-N,2,2-trimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 115154766
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
4-amino-1-(2-fluorophenyl)-3,3-dimethylbutan-1-one
CID 116916536
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
CID 115257573

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide (CID 115157456) is 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide is CN(CCc1ccccc1F)C(=O)CC(C)(C)CN.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is XYCHXLVZHDAHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-15(2,11-17)10-14(19)18(3)9-8-12-6-4-5-7-13(12)16/h4-7H,8-11,17H2,1-3H3.
What are the key properties of 4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
4-amino-N-[2-(2-fluorophenyl)ethyl]-N,3,3-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-(2-fluorophenyl)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).