2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride

C9H12ClF2NO — CID 86262702

IUPAC2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-6(5-12)13-7-2-3-8(10)9(11)4-7;/h2-4,6H,5,12H2,1H3;1H
InChIKeyZNRYENWCIVPIJE-UHFFFAOYSA-N
MW223.65 g/mol
LogP2.11
Rot. Bonds3

About 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride

2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride (PubChem CID 86262702) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
PubChem CID86262702
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
SMILESCC(CN)Oc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-6(5-12)13-7-2-3-8(10)9(11)4-7;/h2-4,6H,5,12H2,1H3;1H
InChIKeyZNRYENWCIVPIJE-UHFFFAOYSA-N
XLogP2.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740
2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64719345
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
1-[3-(3,4-difluorophenoxy)butyl]piperidine
CID 173309705
2-(3,4-difluorophenoxy)propanenitrile
CID 60666917
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride (CID 86262702) is 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride is CC(CN)Oc1ccc(F)c(F)c1.Cl.
What is the InChIKey of 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride?
The InChIKey is ZNRYENWCIVPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-6(5-12)13-7-2-3-8(10)9(11)4-7;/h2-4,6H,5,12H2,1H3;1H.
What are the key properties of 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride?
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 86262702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).