3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine

C12H22N4O — CID 141403331

IUPAC3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
SMILESCNc1cc(OC)c(N)c(CCN(C)C)c1N
InChIInChI=1S/C12H22N4O/c1-15-9-7-10(17-4)12(14)8(11(9)13)5-6-16(2)3/h7,15H,5-6,13-14H2,1-4H3
InChIKeyLZOYOMJPNZZRBZ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.01
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine

3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine (PubChem CID 141403331) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
PubChem CID141403331
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine
SMILESCNc1cc(OC)c(N)c(CCN(C)C)c1N
InChIInChI=1S/C12H22N4O/c1-15-9-7-10(17-4)12(14)8(11(9)13)5-6-16(2)3/h7,15H,5-6,13-14H2,1-4H3
InChIKeyLZOYOMJPNZZRBZ-UHFFFAOYSA-N
XLogP1.01
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[3-(dimethylamino)propyl]-3,6-dimethoxyaniline
CID 170865977
2-amino-N-[4-(dimethylamino)butan-2-yl]-3,5-dimethoxybenzamide
CID 115950608
2-[1-[2-(dimethylamino)ethyl]-4,10-dimethoxy-2,8-bis(methylsulfanyl)benzo[c][1,2,5,6]benzotetrathiocin-7-yl]-N,N-dimethylethanamine
CID 25191970
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28572779
2-(2-methoxy-5-propan-2-ylphenyl)-N,N-dimethylethanamine
CID 117043743
N-[2-(3-amino-4-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 82257408
4,5-dimethoxy-3-N-methylbenzene-1,3-diamine
CID 163969412
2-methoxy-1-N,4-N,5-trimethylbenzene-1,4-diamine
CID 146951235
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
N-(4-chloro-2,5-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82093412
2-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
4-[4-amino-N-(4-hydroxybutyl)-2-methoxy-5-(methylamino)anilino]butan-1-ol
CID 144755561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine (CID 141403331) is 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine is CNc1cc(OC)c(N)c(CCN(C)C)c1N.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine?
The InChIKey is LZOYOMJPNZZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-9-7-10(17-4)12(14)8(11(9)13)5-6-16(2)3/h7,15H,5-6,13-14H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine?
3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine has a molecular weight of 238.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 141403331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).