3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine

C13H22N2O2 — CID 112510147

IUPAC3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc(OC)c(N(C)C(C)CCN)c1
InChIInChI=1S/C13H22N2O2/c1-10(7-8-14)15(2)12-9-11(16-3)5-6-13(12)17-4/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyOXYKCHQVZQIOHD-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.88
Rot. Bonds6

About 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine

3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine (PubChem CID 112510147) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
PubChem CID112510147
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine
SMILESCOc1ccc(OC)c(N(C)C(C)CCN)c1
InChIInChI=1S/C13H22N2O2/c1-10(7-8-14)15(2)12-9-11(16-3)5-6-13(12)17-4/h5-6,9-10H,7-8,14H2,1-4H3
InChIKeyOXYKCHQVZQIOHD-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(5-bromo-2-methoxyphenyl)-3-N-methylbutane-1,3-diamine
CID 117040232
3-N-(2-methoxy-4,5-dimethylphenyl)-3-N-methylbutane-1,3-diamine
CID 117040233
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 125041871
2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801
N'-(2,5-dimethoxyphenyl)-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251309
3-N-(7-methoxyisoquinolin-1-yl)-3-N-methylbutane-1,3-diamine
CID 106536587
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474
2-N-methyl-2-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 117039940
N-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117287
1-(2,5-dimethoxyphenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571892
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
3-N-[(5-chloro-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225677

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine (CID 112510147) is 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine is COc1ccc(OC)c(N(C)C(C)CCN)c1.
What is the InChIKey of 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is OXYKCHQVZQIOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(7-8-14)15(2)12-9-11(16-3)5-6-13(12)17-4/h5-6,9-10H,7-8,14H2,1-4H3.
What are the key properties of 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine?
3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,5-dimethoxyphenyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 112510147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).