2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride

C20H29ClN2O — CID 2983160

IUPAC2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCN(CC)c1ccc(CNC(C)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H28N2O.ClH/c1-4-22(5-2)19-13-11-17(12-14-19)15-21-16(3)20(23)18-9-7-6-8-10-18;/h6-14,16,20-21,23H,4-5,15H2,1-3H3;1H
InChIKeyLMYWICVVKWYYCS-UHFFFAOYSA-N
MW348.92 g/mol
LogP4.17
Rot. Bonds8

About 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride

2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride (PubChem CID 2983160) has the molecular formula C20H29ClN2O and a molecular weight of 348.92 g/mol. Its IUPAC name is 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
PubChem CID2983160
Molecular FormulaC20H29ClN2O
Molecular Weight348.92 g/mol
Exact Mass348.20
IUPAC Name2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride
SMILESCCN(CC)c1ccc(CNC(C)C(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C20H28N2O.ClH/c1-4-22(5-2)19-13-11-17(12-14-19)15-21-16(3)20(23)18-9-7-6-8-10-18;/h6-14,16,20-21,23H,4-5,15H2,1-3H3;1H
InChIKeyLMYWICVVKWYYCS-UHFFFAOYSA-N
XLogP4.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.92
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride (CID 2983160) is 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride is CCN(CC)c1ccc(CNC(C)C(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is LMYWICVVKWYYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O.ClH/c1-4-22(5-2)19-13-11-17(12-14-19)15-21-16(3)20(23)18-9-7-6-8-10-18;/h6-14,16,20-21,23H,4-5,15H2,1-3H3;1H.
What are the key properties of 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride?
2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 348.92 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)phenyl]methylamino]-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 2983160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).