3-[tris(2-methylphenyl)methylamino]propan-1-ol

C25H29NO — CID 67427020

IUPAC3-[tris(2-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccccc1C(NCCCO)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H29NO/c1-19-11-4-7-14-22(19)25(26-17-10-18-27,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26-27H,10,17-18H2,1-3H3
InChIKeySSPIZTKGHJPXSO-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.88
Rot. Bonds7

About 3-[tris(2-methylphenyl)methylamino]propan-1-ol

3-[tris(2-methylphenyl)methylamino]propan-1-ol (PubChem CID 67427020) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[tris(2-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[tris(2-methylphenyl)methylamino]propan-1-ol
PubChem CID67427020
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name3-[tris(2-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccccc1C(NCCCO)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C25H29NO/c1-19-11-4-7-14-22(19)25(26-17-10-18-27,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26-27H,10,17-18H2,1-3H3
InChIKeySSPIZTKGHJPXSO-UHFFFAOYSA-N
XLogP4.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-(2-methylanilino)propan-1-ol
CID 18005925
3-[tris(2-methylphenyl)methoxy]propan-1-ol
CID 67427330
3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-1-ol
CID 110174091
2-(2-hydroxyethylamino)ethanol;1,2-xylene
CID 174810256
2-(2-methylphenyl)-2-(propylamino)propan-1-ol
CID 61055182
[2,5-dihydroxy-2-(2-methylphenyl)pentyl]carbamic acid
CID 121416282
3-methyl-3-[[2-methyl-2-(2-methylphenyl)propyl]amino]butan-1-ol
CID 115134383
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
octan-1-ol;1,2-xylene
CID 68579692
butan-1-ol;1,2,3-trimethylbenzene
CID 174803565
2-[2-(3-hydroxypropylamino)phenyl]-2-methylpropanoic acid
CID 82539740
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486

Frequently Asked Questions

What is the IUPAC name of 3-[tris(2-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 3-[tris(2-methylphenyl)methylamino]propan-1-ol (CID 67427020) is 3-[tris(2-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[tris(2-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 3-[tris(2-methylphenyl)methylamino]propan-1-ol is Cc1ccccc1C(NCCCO)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 3-[tris(2-methylphenyl)methylamino]propan-1-ol?
The InChIKey is SSPIZTKGHJPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-19-11-4-7-14-22(19)25(26-17-10-18-27,23-15-8-5-12-20(23)2)24-16-9-6-13-21(24)3/h4-9,11-16,26-27H,10,17-18H2,1-3H3.
What are the key properties of 3-[tris(2-methylphenyl)methylamino]propan-1-ol?
3-[tris(2-methylphenyl)methylamino]propan-1-ol has a molecular weight of 359.51 g/mol, XLogP of 4.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tris(2-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 67427020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).