(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride

C15H24ClFN2O2 — CID 119804898

IUPAC(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Oc1ccccc1F.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-10(2)8-13(17)15(19)18-9-11(3)20-14-7-5-4-6-12(14)16;/h4-7,10-11,13H,8-9,17H2,1-3H3,(H,18,19);1H/t11?,13-;/m0./s1
InChIKeyYTPRARPBCNXHRZ-IYWIJXFJSA-N
MW318.82 g/mol
LogP2.50
Rot. Bonds7

About (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride (PubChem CID 119804898) has the molecular formula C15H24ClFN2O2 and a molecular weight of 318.82 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
PubChem CID119804898
Molecular FormulaC15H24ClFN2O2
Molecular Weight318.82 g/mol
Exact Mass318.15
IUPAC Name(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCC(C)Oc1ccccc1F.Cl
InChIInChI=1S/C15H23FN2O2.ClH/c1-10(2)8-13(17)15(19)18-9-11(3)20-14-7-5-4-6-12(14)16;/h4-7,10-11,13H,8-9,17H2,1-3H3,(H,18,19);1H/t11?,13-;/m0./s1
InChIKeyYTPRARPBCNXHRZ-IYWIJXFJSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
2-(2-fluorophenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771605
(2S)-2-amino-N-[2-(3-chlorophenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119807149
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
1-[2-(2-fluorophenoxy)propyl]-3-(3-hydroxypropyl)urea
CID 111508672
(2S)-2-amino-N-[2-(2-methylphenoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119335772
(2S)-2-amino-N-(2-methoxy-2-phenylethyl)-4-methylpentanamide;hydrochloride
CID 119703944
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]-3-phenylpropanamide
CID 119340597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride (CID 119804898) is (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCC(C)Oc1ccccc1F.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
The InChIKey is YTPRARPBCNXHRZ-IYWIJXFJSA-N. The full InChI is InChI=1S/C15H23FN2O2.ClH/c1-10(2)8-13(17)15(19)18-9-11(3)20-14-7-5-4-6-12(14)16;/h4-7,10-11,13H,8-9,17H2,1-3H3,(H,18,19);1H/t11?,13-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride has a molecular weight of 318.82 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(2-fluorophenoxy)propyl]-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119804898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).