4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride

C10H14ClF2NO — CID 86262593

IUPAC4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO.ClH/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13;/h3-4,7H,1-2,5-6,13H2;1H
InChIKeyOTQWFPMVPFFJQN-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.50
Rot. Bonds5

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

4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride (PubChem CID 86262593) has the molecular formula C10H14ClF2NO and a molecular weight of 237.68 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
PubChem CID86262593
Molecular FormulaC10H14ClF2NO
Molecular Weight237.68 g/mol
Exact Mass237.07
IUPAC Name4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
SMILESCl.NCCCCOc1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO.ClH/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13;/h3-4,7H,1-2,5-6,13H2;1H
InChIKeyOTQWFPMVPFFJQN-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(2,4-difluorophenoxy)propoxy]pentan-1-amine
CID 82353628
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
CID 89282398
CID 89282398
[2-[3-(2,4-difluorophenoxy)propoxy]phenyl]methanamine
CID 43254007
5-(2,4-difluorophenoxy)pentanenitrile
CID 60772052
2-(2,4-difluorophenoxy)ethanethiol
CID 79002379
3-(5-fluoro-2-methoxyphenoxy)propan-1-amine
CID 15034471
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
2-(2-bromo-4-fluorophenoxy)ethanamine
CID 22688771
3-(2,4-difluorophenoxy)propane-1-sulfonyl fluoride
CID 165461012
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
5-(2,4-difluorophenoxy)-2-phenylpentan-1-amine
CID 82137950

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride?
The IUPAC name of 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride (CID 86262593) is 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride.
What is the SMILES notation for 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride?
The canonical SMILES for 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride is Cl.NCCCCOc1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride?
The InChIKey is OTQWFPMVPFFJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO.ClH/c11-8-3-4-10(9(12)7-8)14-6-2-1-5-13;/h3-4,7H,1-2,5-6,13H2;1H.
What are the key properties of 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride?
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride is sourced from PubChem (CID 86262593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).