1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride

C9H12ClF2NO — CID 141001836

IUPAC1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
SMILESCCC(N)Oc1cc(F)ccc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-2-9(12)13-8-5-6(10)3-4-7(8)11;/h3-5,9H,2,12H2,1H3;1H
InChIKeyATZGOWBRBYBYBI-UHFFFAOYSA-N
MW223.65 g/mol
LogP2.46
Rot. Bonds3

About 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride

1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride (PubChem CID 141001836) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
PubChem CID141001836
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
SMILESCCC(N)Oc1cc(F)ccc1F.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-2-9(12)13-8-5-6(10)3-4-7(8)11;/h3-5,9H,2,12H2,1H3;1H
InChIKeyATZGOWBRBYBYBI-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63269237
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
2-(2,5-difluorophenoxy)propanamide
CID 63269491
1,4-difluoro-2-hexoxybenzene
CID 23437312
(2S)-N-butyl-2-(2,5-difluorophenoxy)propanamide
CID 95973725
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
1-[3-(2,5-difluorophenoxy)phenyl]butan-2-amine
CID 63944119
2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 55168512

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride?
The IUPAC name of 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride (CID 141001836) is 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride?
The canonical SMILES for 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride is CCC(N)Oc1cc(F)ccc1F.Cl.
What is the InChIKey of 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride?
The InChIKey is ATZGOWBRBYBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-2-9(12)13-8-5-6(10)3-4-7(8)11;/h3-5,9H,2,12H2,1H3;1H.
What are the key properties of 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride?
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride is sourced from PubChem (CID 141001836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).