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

C14H24N2O2 — CID 115121516

IUPAC1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CN)c(C)c1C
InChIInChI=1S/C14H24N2O2/c1-10-11(2)14(18-4)6-5-12(10)8-16(3)9-13(17)7-15/h5-6,13,17H,7-9,15H2,1-4H3
InChIKeyLAFCTFYPDKUTPT-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.06
Rot. Bonds6

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

1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol (PubChem CID 115121516) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
PubChem CID115121516
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CN)c(C)c1C
InChIInChI=1S/C14H24N2O2/c1-10-11(2)14(18-4)6-5-12(10)8-16(3)9-13(17)7-15/h5-6,13,17H,7-9,15H2,1-4H3
InChIKeyLAFCTFYPDKUTPT-UHFFFAOYSA-N
XLogP1.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-N-methylpropane-1,2,3-triamine
CID 115119860
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 115121489
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 71002758
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190
4-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]butan-2-one
CID 115235817
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propanenitrile
CID 115230987
3-[(4,8-dimethoxynaphthalen-1-yl)methyl-methylamino]propane-1,2-diol
CID 77094953
1-amino-3-[(2-bromophenyl)methyl-methylamino]propan-2-ol
CID 61416139
ethyl 4-[2-hydroxy-3-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]propoxy]benzoate
CID 24562430
(4-methoxy-2,3-dimethylphenyl)methyl-methylcyanamide
CID 117043360

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol (CID 115121516) is 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol is COc1ccc(CN(C)CC(O)CN)c(C)c1C.
What is the InChIKey of 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is LAFCTFYPDKUTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-11(2)14(18-4)6-5-12(10)8-16(3)9-13(17)7-15/h5-6,13,17H,7-9,15H2,1-4H3.
What are the key properties of 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol?
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 115121516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).