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

C21H29NO — CID 166383552

IUPAC2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol
SMILESCc1ccccc1CC(CO)CNCc1ccccc1C(C)C
InChIInChI=1S/C21H29NO/c1-16(2)21-11-7-6-10-20(21)14-22-13-18(15-23)12-19-9-5-4-8-17(19)3/h4-11,16,18,22-23H,12-15H2,1-3H3
InChIKeyJAICKUVTFPTFNC-UHFFFAOYSA-N
MW311.47 g/mol
LogP4.06
Rot. Bonds8

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

2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol (PubChem CID 166383552) has the molecular formula C21H29NO and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol
PubChem CID166383552
Molecular FormulaC21H29NO
Molecular Weight311.47 g/mol
Exact Mass311.22
IUPAC Name2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol
SMILESCc1ccccc1CC(CO)CNCc1ccccc1C(C)C
InChIInChI=1S/C21H29NO/c1-16(2)21-11-7-6-10-20(21)14-22-13-18(15-23)12-19-9-5-4-8-17(19)3/h4-11,16,18,22-23H,12-15H2,1-3H3
InChIKeyJAICKUVTFPTFNC-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methylphenyl)methyl]-3-(1-propan-2-yloxypropan-2-ylamino)propan-1-ol
CID 166179854
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
2-[[[1-cyclopropyl-2-(2-methylphenyl)ethyl]amino]methyl]-3-(2-methylphenyl)propan-1-ol
CID 166350753
4-methyl-2-[(2-methylphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 63498334
N-ethyl-4-methyl-2-[(2-methylphenyl)methyl]pentan-1-amine
CID 62528305
2-benzyl-3-(2-methylphenyl)-N-(2-methylpropyl)propan-1-amine
CID 63496197
5,5-dimethyl-2-[(2-methylphenyl)methyl]hexan-1-ol
CID 66059935
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
2-[(2,6-dichlorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66057630
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
2-[(2-bromo-5-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66060375

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol (CID 166383552) is 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol is Cc1ccccc1CC(CO)CNCc1ccccc1C(C)C.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol?
The InChIKey is JAICKUVTFPTFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO/c1-16(2)21-11-7-6-10-20(21)14-22-13-18(15-23)12-19-9-5-4-8-17(19)3/h4-11,16,18,22-23H,12-15H2,1-3H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol?
2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol has a molecular weight of 311.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-[(2-propan-2-ylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 166383552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).