2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol

C13H22N2O2 — CID 113425969

IUPAC2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
SMILESCOc1ccc(CN)cc1CN(C)C(C)CO
InChIInChI=1S/C13H22N2O2/c1-10(9-16)15(2)8-12-6-11(7-14)4-5-13(12)17-3/h4-6,10,16H,7-9,14H2,1-3H3
InChIKeySXDBTNSJOCIPCP-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.97
Rot. Bonds6

About 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol

2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol (PubChem CID 113425969) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
PubChem CID113425969
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol
SMILESCOc1ccc(CN)cc1CN(C)C(C)CO
InChIInChI=1S/C13H22N2O2/c1-10(9-16)15(2)8-12-6-11(7-14)4-5-13(12)17-3/h4-6,10,16H,7-9,14H2,1-3H3
InChIKeySXDBTNSJOCIPCP-UHFFFAOYSA-N
XLogP0.97
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
[3-[(dimethylamino)methyl]-4-methoxyphenyl]methanamine;hydrochloride
CID 156589399
2-[[4-(aminomethyl)phenyl]methyl-methylamino]propan-1-ol
CID 104551473
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
5-(aminomethyl)-2-methoxyphenol
CID 1132998
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N,4-dimethylpentan-2-amine
CID 55001670
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-2-methoxy-N-methylaniline
CID 62018180

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol?
The IUPAC name of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol (CID 113425969) is 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol.
What is the SMILES notation for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol?
The canonical SMILES for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol is COc1ccc(CN)cc1CN(C)C(C)CO.
What is the InChIKey of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol?
The InChIKey is SXDBTNSJOCIPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(9-16)15(2)8-12-6-11(7-14)4-5-13(12)17-3/h4-6,10,16H,7-9,14H2,1-3H3.
What are the key properties of 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol?
2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-2-methoxyphenyl]methyl-methylamino]propan-1-ol is sourced from PubChem (CID 113425969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).