1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol

C19H25NO — CID 82312509

IUPAC1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)C(O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-13-5-8-17(9-6-13)12-20-16(4)19(21)18-10-7-14(2)15(3)11-18/h5-11,16,19-21H,12H2,1-4H3
InChIKeyOQRFCEZOVMUJNW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.82
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol

1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol (PubChem CID 82312509) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
PubChem CID82312509
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(CNC(C)C(O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-13-5-8-17(9-6-13)12-20-16(4)19(21)18-10-7-14(2)15(3)11-18/h5-11,16,19-21H,12H2,1-4H3
InChIKeyOQRFCEZOVMUJNW-UHFFFAOYSA-N
XLogP3.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol
CID 82313108
4-[2-[(4-fluorophenyl)methylamino]-1-hydroxypropyl]-2-methylphenol
CID 110184271
(2R)-N-[(3,4-dimethylphenyl)methyl]-3-methylbutan-2-amine
CID 93026402
2-(butan-2-ylamino)-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312487
2-[3-(dimethylamino)propylamino]-1-(3,4-dimethylphenyl)propan-1-ol
CID 82312515
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
4-[2-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]ethyl]phenol
CID 82312289
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
1-(4-fluorophenyl)-2-[(4-methyl-3-nitrophenyl)methylamino]propan-1-ol
CID 111422148
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol (CID 82312509) is 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol is Cc1ccc(CNC(C)C(O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
The InChIKey is OQRFCEZOVMUJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13-5-8-17(9-6-13)12-20-16(4)19(21)18-10-7-14(2)15(3)11-18/h5-11,16,19-21H,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol?
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 82312509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).