2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol

C14H24N2O3 — CID 115120748

IUPAC2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C)c(CN(C)CC(N)CO)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-10-5-12(18-3)6-14(19-4)13(10)8-16(2)7-11(15)9-17/h5-6,11,17H,7-9,15H2,1-4H3
InChIKeyCSDADARTTPYLGI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.76
Rot. Bonds7

About 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol

2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol (PubChem CID 115120748) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
PubChem CID115120748
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol
SMILESCOc1cc(C)c(CN(C)CC(N)CO)c(OC)c1
InChIInChI=1S/C14H24N2O3/c1-10-5-12(18-3)6-14(19-4)13(10)8-16(2)7-11(15)9-17/h5-6,11,17H,7-9,15H2,1-4H3
InChIKeyCSDADARTTPYLGI-UHFFFAOYSA-N
XLogP0.76
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]ethanethiol
CID 115224150
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
2-amino-3-[(2-methoxy-4-propan-2-ylphenyl)methyl-methylamino]propan-1-ol
CID 115120711
2-amino-3-(2,4-dimethoxy-6-methylanilino)propan-1-ol
CID 115120337
2-amino-3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-ol
CID 115120667
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 115120751
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
N'-methyl-N'-[(2,4,6-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 55103553
2-cyano-N-[(2,4-dimethoxy-6-methylphenyl)methyl]-N-methylacetamide
CID 115173226

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol (CID 115120748) is 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol is COc1cc(C)c(CN(C)CC(N)CO)c(OC)c1.
What is the InChIKey of 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol?
The InChIKey is CSDADARTTPYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10-5-12(18-3)6-14(19-4)13(10)8-16(2)7-11(15)9-17/h5-6,11,17H,7-9,15H2,1-4H3.
What are the key properties of 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol?
2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]propan-1-ol is sourced from PubChem (CID 115120748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).