2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride

C15H24ClFN2O2 — CID 119695322

IUPAC2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-4-11(2)14(17)15(19)18(3)9-10-20-13-7-5-12(16)6-8-13;/h5-8,11,14H,4,9-10,17H2,1-3H3;1H
InChIKeyQFWDQBCKOSRSNO-UHFFFAOYSA-N
MW318.82 g/mol
LogP2.46
Rot. Bonds7

About 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride

2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride (PubChem CID 119695322) has the molecular formula C15H24ClFN2O2 and a molecular weight of 318.82 g/mol. Its IUPAC name is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
PubChem CID119695322
Molecular FormulaC15H24ClFN2O2
Molecular Weight318.82 g/mol
Exact Mass318.15
IUPAC Name2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)N(C)CCOc1ccc(F)cc1.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-4-11(2)14(17)15(19)18(3)9-10-20-13-7-5-12(16)6-8-13;/h5-8,11,14H,4,9-10,17H2,1-3H3;1H
InChIKeyQFWDQBCKOSRSNO-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpentanamide
CID 119731994
2-amino-N,3-dimethyl-N-[3-(4-methylsulfonylphenoxy)propyl]pentanamide
CID 119753811
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
CID 119321215
2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 86916962
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride (CID 119695322) is 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride is CCC(C)C(N)C(=O)N(C)CCOc1ccc(F)cc1.Cl.
What is the InChIKey of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride?
The InChIKey is QFWDQBCKOSRSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2.ClH/c1-4-11(2)14(17)15(19)18(3)9-10-20-13-7-5-12(16)6-8-13;/h5-8,11,14H,4,9-10,17H2,1-3H3;1H.
What are the key properties of 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride?
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride has a molecular weight of 318.82 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride is sourced from PubChem (CID 119695322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).