1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride

C18H24ClNO — CID 54605176

IUPAC1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
SMILESCc1ccc(C(Cc2ccccc2)NCC(C)O)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-8-10-17(11-9-14)18(19-13-15(2)20)12-16-6-4-3-5-7-16;/h3-11,15,18-20H,12-13H2,1-2H3;1H
InChIKeyWZNGMFYZVSZODN-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.67
Rot. Bonds6

About 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride

1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride (PubChem CID 54605176) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
PubChem CID54605176
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC Name1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride
SMILESCc1ccc(C(Cc2ccccc2)NCC(C)O)cc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-8-10-17(11-9-14)18(19-13-15(2)20)12-16-6-4-3-5-7-16;/h3-11,15,18-20H,12-13H2,1-2H3;1H
InChIKeyWZNGMFYZVSZODN-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-methylphenyl)propylamino]-3-phenylpropan-2-ol
CID 112811027
(2S)-1-[[(1R)-1-(4-methylphenyl)propyl]amino]propan-2-ol
CID 93081997
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
1-(1,2-diphenylethylamino)-3-methylbutan-2-ol
CID 115720401
N-[(1R)-1,2-diphenylethyl]-2-methylpropan-1-amine
CID 40561608
N',N'-diethyl-N-[1-(4-methylphenyl)-2-phenylethyl]ethane-1,2-diamine
CID 145453268
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
2-methyl-1-(4-methylphenyl)-3-phenylpropan-1-ol
CID 70499675
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-2-phenylacetamide;hydrochloride
CID 15983561
(1R,2R)-2-(benzylamino)-1-(4-methylphenyl)propane-1,3-diol
CID 160710690

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride (CID 54605176) is 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride is Cc1ccc(C(Cc2ccccc2)NCC(C)O)cc1.Cl.
What is the InChIKey of 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride?
The InChIKey is WZNGMFYZVSZODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14-8-10-17(11-9-14)18(19-13-15(2)20)12-16-6-4-3-5-7-16;/h3-11,15,18-20H,12-13H2,1-2H3;1H.
What are the key properties of 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride?
1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methylphenyl)-2-phenylethyl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 54605176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).