N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride

C15H23ClF2N2O2 — CID 119569334

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-4-15(5-2,9-18)19-14(20)10(3)21-11-6-7-12(16)13(17)8-11;/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20);1H
InChIKeyUBWFSMCBKIEDEQ-UHFFFAOYSA-N
MW336.81 g/mol
LogP2.79
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride (PubChem CID 119569334) has the molecular formula C15H23ClF2N2O2 and a molecular weight of 336.81 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
PubChem CID119569334
Molecular FormulaC15H23ClF2N2O2
Molecular Weight336.81 g/mol
Exact Mass336.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C15H22F2N2O2.ClH/c1-4-15(5-2,9-18)19-14(20)10(3)21-11-6-7-12(16)13(17)8-11;/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20);1H
InChIKeyUBWFSMCBKIEDEQ-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.81
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-methylsulfanylphenoxy)propanamide
CID 119569465
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenoxy)propanamide;hydrochloride
CID 119571125
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 119187453
N-[3-(aminomethyl)pentan-3-yl]-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119570150
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
2-(3,4-difluorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430409
N-[2-(aminomethyl)cyclopentyl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride
CID 119601484
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340
N-[3-(hydroxymethyl)pentan-3-yl]-2-(4-methoxyphenoxy)propanamide
CID 62521913
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
N-[3-(aminomethyl)pentan-3-yl]-4-(2-fluorophenyl)-2-methylbutanamide
CID 119569414

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride (CID 119569334) is N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride is CCC(CC)(CN)NC(=O)C(C)Oc1ccc(F)c(F)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
The InChIKey is UBWFSMCBKIEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2.ClH/c1-4-15(5-2,9-18)19-14(20)10(3)21-11-6-7-12(16)13(17)8-11;/h6-8,10H,4-5,9,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride has a molecular weight of 336.81 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(3,4-difluorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119569334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).