3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride

C10H14Cl3NO — CID 2951048

IUPAC3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14;/h2-3,6,13-14H,1,4-5,7H2;1H
InChIKeyCCHVDLAEJPBGII-UHFFFAOYSA-N
MW270.59 g/mol
LogP2.89
Rot. Bonds5

About 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride

3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride (PubChem CID 2951048) has the molecular formula C10H14Cl3NO and a molecular weight of 270.59 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride
PubChem CID2951048
Molecular FormulaC10H14Cl3NO
Molecular Weight270.59 g/mol
Exact Mass269.01
IUPAC Name3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride
SMILESCl.OCCCNCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H13Cl2NO.ClH/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14;/h2-3,6,13-14H,1,4-5,7H2;1H
InChIKeyCCHVDLAEJPBGII-UHFFFAOYSA-N
XLogP2.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.59
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride (CID 2951048) is 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride is Cl.OCCCNCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride?
The InChIKey is CCHVDLAEJPBGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO.ClH/c11-9-3-2-8(10(12)6-9)7-13-4-1-5-14;/h2-3,6,13-14H,1,4-5,7H2;1H.
What are the key properties of 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride?
3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride has a molecular weight of 270.59 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylamino]propan-1-ol;hydrochloride is sourced from PubChem (CID 2951048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).