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

C16H18Cl3NO — CID 11948814

IUPAC2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(Cl)c(Cl)c1)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)13-5-3-2-4-6-13)19-10-12-7-8-14(17)15(18)9-12;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeyJATAYCHUHBDSAZ-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.63
Rot. Bonds5

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

2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 11948814) has the molecular formula C16H18Cl3NO and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID11948814
Molecular FormulaC16H18Cl3NO
Molecular Weight346.69 g/mol
Exact Mass345.05
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1ccc(Cl)c(Cl)c1)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)13-5-3-2-4-6-13)19-10-12-7-8-14(17)15(18)9-12;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeyJATAYCHUHBDSAZ-UHFFFAOYSA-N
XLogP4.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 11948814) is 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is CC(NCc1ccc(Cl)c(Cl)c1)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is JATAYCHUHBDSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)13-5-3-2-4-6-13)19-10-12-7-8-14(17)15(18)9-12;/h2-9,11,16,19-20H,10H2,1H3;1H.
What are the key properties of 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 346.69 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 11948814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).