2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol

C12H20N2O — CID 107105810

IUPAC2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
SMILESCc1cccc(CN)c1N(C)C(C)CO
InChIInChI=1S/C12H20N2O/c1-9-5-4-6-11(7-13)12(9)14(3)10(2)8-15/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyPBOBYBDPURMVQG-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.27
Rot. Bonds4

About 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol

2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol (PubChem CID 107105810) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
PubChem CID107105810
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol
SMILESCc1cccc(CN)c1N(C)C(C)CO
InChIInChI=1S/C12H20N2O/c1-9-5-4-6-11(7-13)12(9)14(3)10(2)8-15/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyPBOBYBDPURMVQG-UHFFFAOYSA-N
XLogP1.27
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarbothioamide
CID 107108566
2-(aminomethyl)-N-[1-(3-chlorophenyl)ethyl]-N,6-dimethylaniline
CID 107105687
2-(aminomethyl)-N,6-dimethyl-N-(2-methylpropyl)aniline
CID 107105504
2-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 107110403
2-[2-(aminomethyl)-N,6-dimethylanilino]-N-propan-2-ylacetamide
CID 107105633
3-[2-(aminomethyl)-N-ethyl-6-methylanilino]propan-1-ol
CID 107105813
2-[2-(aminomethyl)-N-(2,2-difluoroethyl)-6-methylanilino]ethanol
CID 107478449
2-(aminomethyl)-N-cyclohexyl-N,6-dimethylaniline
CID 107105472
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-[[3-(aminomethyl)quinolin-2-yl]-methylamino]propan-1-ol
CID 113425934
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
2-(aminomethyl)-N-cyclopentyl-N-ethyl-6-methylaniline
CID 107105520

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol?
The IUPAC name of 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol (CID 107105810) is 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol.
What is the SMILES notation for 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol?
The canonical SMILES for 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol is Cc1cccc(CN)c1N(C)C(C)CO.
What is the InChIKey of 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol?
The InChIKey is PBOBYBDPURMVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-5-4-6-11(7-13)12(9)14(3)10(2)8-15/h4-6,10,15H,7-8,13H2,1-3H3.
What are the key properties of 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol?
2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol has a molecular weight of 208.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-N,6-dimethylanilino]propan-1-ol is sourced from PubChem (CID 107105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).