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

C14H21FN2O — CID 115156145

IUPAC4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(7-9-16)14(18)17(2)10-8-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3
InChIKeyDNSYEIRYRSXGSF-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.81
Rot. Bonds6

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

4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide (PubChem CID 115156145) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
PubChem CID115156145
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
SMILESCC(CCN)C(=O)N(C)CCc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-11(7-9-16)14(18)17(2)10-8-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3
InChIKeyDNSYEIRYRSXGSF-UHFFFAOYSA-N
XLogP1.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(4-fluorophenyl)-N,2-dimethylbutanamide
CID 80543840
4-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpentanamide
CID 115156807
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutane-1,4-diamine
CID 115202816
N-butyl-3-(4-fluorophenyl)-N,2-dimethylpropanamide
CID 48854171
N-[2-(4-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158335
4-amino-N-[(4-methoxyphenyl)methyl]-N,2-dimethylbutanamide
CID 80542826
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
CID 115185772
3-[2-(4-fluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 115163578
3-amino-N-[2-(4-fluorophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155081
N-[2-(4-fluorophenyl)ethyl]-N,4-dimethyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 60571425

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The IUPAC name of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide (CID 115156145) is 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The canonical SMILES for 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide is CC(CCN)C(=O)N(C)CCc1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
The InChIKey is DNSYEIRYRSXGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11(7-9-16)14(18)17(2)10-8-12-3-5-13(15)6-4-12/h3-6,11H,7-10,16H2,1-2H3.
What are the key properties of 4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide?
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide has a molecular weight of 252.33 g/mol, XLogP of 1.81, 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-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide is sourced from PubChem (CID 115156145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).