1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol

C13H22N2O — CID 115121441

IUPAC1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)CN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9-4-5-12(11(3)10(9)2)7-15-8-13(16)6-14/h4-5,13,15-16H,6-8,14H2,1-3H3
InChIKeyOVULBMIALDUIBL-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.02
Rot. Bonds5

About 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol

1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol (PubChem CID 115121441) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
PubChem CID115121441
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)CN)c(C)c1C
InChIInChI=1S/C13H22N2O/c1-9-4-5-12(11(3)10(9)2)7-15-8-13(16)6-14/h4-5,13,15-16H,6-8,14H2,1-3H3
InChIKeyOVULBMIALDUIBL-UHFFFAOYSA-N
XLogP1.02
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-N'-[(2,3,4-trimethylphenyl)methyl]propane-1,3-diamine
CID 115252515
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
N'-[(2,3,4-trimethylphenyl)methyl]methanediamine
CID 115225803
1-amino-3-(2,3,4-trimethylanilino)propan-2-ol
CID 115121186
2,2-dimethyl-N-[(2,3,4-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204464
3-methyl-2-[[(2,3,4-trimethylphenyl)methylamino]methyl]butanoic acid
CID 115250349
1-amino-3-[(6-methyl-1,3-benzodioxol-5-yl)methylamino]propan-2-ol
CID 115121438
[(2,3,4-trimethylphenyl)methylamino]methanethiol
CID 115228002
1-amino-3-[2-(5-bromo-2-methylphenyl)ethylamino]propan-2-ol
CID 115121662
1-amino-3-[2-(3-methylthiophen-2-yl)ethylamino]propan-2-ol
CID 115121696
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
methyl 2-[(2,3,4-trimethylphenyl)methylamino]acetate
CID 115232918

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol (CID 115121441) is 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol is Cc1ccc(CNCC(O)CN)c(C)c1C.
What is the InChIKey of 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol?
The InChIKey is OVULBMIALDUIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9-4-5-12(11(3)10(9)2)7-15-8-13(16)6-14/h4-5,13,15-16H,6-8,14H2,1-3H3.
What are the key properties of 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol?
1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol has a molecular weight of 222.33 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 115121441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).