3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine

C12H21N3O — CID 115119499

IUPAC3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
SMILESCOc1ccc(C)cc1N(C)CC(N)CN
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16-3)11(6-9)15(2)8-10(14)7-13/h4-6,10H,7-8,13-14H2,1-3H3
InChIKeyMDTSRUWWADTIDA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.73
Rot. Bonds5

About 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine

3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine (PubChem CID 115119499) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
PubChem CID115119499
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
SMILESCOc1ccc(C)cc1N(C)CC(N)CN
InChIInChI=1S/C12H21N3O/c1-9-4-5-12(16-3)11(6-9)15(2)8-10(14)7-13/h4-6,10H,7-8,13-14H2,1-3H3
InChIKeyMDTSRUWWADTIDA-UHFFFAOYSA-N
XLogP0.73
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
3-N-(4-methoxy-2,3-dimethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119560
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
2-ethyl-N-(2-methoxy-5-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115254869
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine?
The IUPAC name of 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine (CID 115119499) is 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine.
What is the SMILES notation for 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine?
The canonical SMILES for 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine is COc1ccc(C)cc1N(C)CC(N)CN.
What is the InChIKey of 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine?
The InChIKey is MDTSRUWWADTIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-4-5-12(16-3)11(6-9)15(2)8-10(14)7-13/h4-6,10H,7-8,13-14H2,1-3H3.
What are the key properties of 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine?
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine has a molecular weight of 223.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine is sourced from PubChem (CID 115119499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).