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

C13H22N2O3 — CID 115121489

IUPAC1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-15(9-11(16)7-14)8-10-4-5-12(17-2)6-13(10)18-3/h4-6,11,16H,7-9,14H2,1-3H3
InChIKeySYQWODSYZYRMOX-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.46
Rot. Bonds7

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

1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol (PubChem CID 115121489) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
PubChem CID115121489
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
SMILESCOc1ccc(CN(C)CC(O)CN)c(OC)c1
InChIInChI=1S/C13H22N2O3/c1-15(9-11(16)7-14)8-10-4-5-12(17-2)6-13(10)18-3/h4-6,11,16H,7-9,14H2,1-3H3
InChIKeySYQWODSYZYRMOX-UHFFFAOYSA-N
XLogP0.46
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
1-amino-3-[(4-methoxy-2,3-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 115121516
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-naphthalen-2-yloxypropan-2-ol
CID 16553388
1-[(2,4-dimethoxyphenyl)methyl-methylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110904927
(2R)-1-amino-3-[(2,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 97180181
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
3-[(2-chloro-4-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122219
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
4-amino-1-[(2-methoxy-5-methylphenyl)methyl-methylamino]butan-2-ol
CID 117039190

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol?
The IUPAC name of 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol (CID 115121489) is 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol.
What is the SMILES notation for 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol?
The canonical SMILES for 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol is COc1ccc(CN(C)CC(O)CN)c(OC)c1.
What is the InChIKey of 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol?
The InChIKey is SYQWODSYZYRMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-15(9-11(16)7-14)8-10-4-5-12(17-2)6-13(10)18-3/h4-6,11,16H,7-9,14H2,1-3H3.
What are the key properties of 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol?
1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol is sourced from PubChem (CID 115121489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).