N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine

C13H22N2O2 — CID 94264285

IUPACN'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CCCCN)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(9-5-4-8-14)12-7-6-11(16-2)10-13(12)17-3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyXGOUFBQKDTUFQM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.88
Rot. Bonds7

About N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine

N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 94264285) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
PubChem CID94264285
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(N(C)CCCCN)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-15(9-5-4-8-14)12-7-6-11(16-2)10-13(12)17-3/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyXGOUFBQKDTUFQM-UHFFFAOYSA-N
XLogP1.88
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
CID 94259004
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
2-amino-4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 115241105
N-[(4-aminophenyl)methyl]-2,4-dimethoxy-N-methylaniline
CID 39371673
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
5-(2,5-dimethoxy-N-methylanilino)pentan-2-one
CID 115236316
N'-(3-tert-butyl-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201080

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine (CID 94264285) is N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine is COc1ccc(N(C)CCCCN)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is XGOUFBQKDTUFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15(9-5-4-8-14)12-7-6-11(16-2)10-13(12)17-3/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine?
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 94264285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).