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

C12H20N2O — CID 115121335

IUPAC1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)CN)c(C)c1
InChIInChI=1S/C12H20N2O/c1-9-3-4-11(10(2)5-9)7-14-8-12(15)6-13/h3-5,12,14-15H,6-8,13H2,1-2H3
InChIKeyMNQQTMSTQZNDPV-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.71
Rot. Bonds5

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

1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol (PubChem CID 115121335) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
PubChem CID115121335
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
SMILESCc1ccc(CNCC(O)CN)c(C)c1
InChIInChI=1S/C12H20N2O/c1-9-3-4-11(10(2)5-9)7-14-8-12(15)6-13/h3-5,12,14-15H,6-8,13H2,1-2H3
InChIKeyMNQQTMSTQZNDPV-UHFFFAOYSA-N
XLogP0.71
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 93033161
1-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 111118848
1-amino-3-[(2,3,4-trimethylphenyl)methylamino]propan-2-ol
CID 115121441
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
1-amino-3-[(6-methyl-1,3-benzodioxol-5-yl)methylamino]propan-2-ol
CID 115121438
5-[(2,4-dimethylphenyl)methylamino]pentan-2-ol
CID 107267917
N'-[(2,5-dimethylphenyl)methyl]-2-methylpropane-1,3-diamine
CID 115198457
1-[(2,4-dimethylphenyl)methylamino]propan-2-one
CID 115234682
4-[(2-hydroxypentylamino)methyl]-3-methylbenzamide
CID 114480836
1-amino-3-[2-(6-methylnaphthalen-2-yl)ethylamino]propan-2-ol
CID 115121687
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol (CID 115121335) is 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol is Cc1ccc(CNCC(O)CN)c(C)c1.
What is the InChIKey of 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
The InChIKey is MNQQTMSTQZNDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-4-11(10(2)5-9)7-14-8-12(15)6-13/h3-5,12,14-15H,6-8,13H2,1-2H3.
What are the key properties of 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol?
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol has a molecular weight of 208.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol is sourced from PubChem (CID 115121335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).