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

C16H18Cl3NO — CID 2984215

IUPAC2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1cccc(Cl)c1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-6-3-2-4-7-12)19-10-13-8-5-9-14(17)15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeySGWVFYQHOCORSG-UHFFFAOYSA-N
MW346.69 g/mol
LogP4.63
Rot. Bonds5

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

2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 2984215) has the molecular formula C16H18Cl3NO and a molecular weight of 346.69 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID2984215
Molecular FormulaC16H18Cl3NO
Molecular Weight346.69 g/mol
Exact Mass345.05
IUPAC Name2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCC(NCc1cccc(Cl)c1Cl)C(O)c1ccccc1.Cl
InChIInChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-6-3-2-4-7-12)19-10-13-8-5-9-14(17)15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H
InChIKeySGWVFYQHOCORSG-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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 2984215) is 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is CC(NCc1cccc(Cl)c1Cl)C(O)c1ccccc1.Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is SGWVFYQHOCORSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO.ClH/c1-11(16(20)12-6-3-2-4-7-12)19-10-13-8-5-9-14(17)15(13)18;/h2-9,11,16,19-20H,10H2,1H3;1H.
What are the key properties of 2-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[(2,3-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-[(2,3-dichlorophenyl)methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2984215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).