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

C12H20N2O2 — CID 82114957

IUPACN'-(2,4-dimethoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(NCCCCN)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-15-10-5-6-11(12(9-10)16-2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyCQUHNBDIIZOVQD-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.85
Rot. Bonds7

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

N'-(2,4-dimethoxyphenyl)butane-1,4-diamine (PubChem CID 82114957) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-(2,4-dimethoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,4-dimethoxyphenyl)butane-1,4-diamine
PubChem CID82114957
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-(2,4-dimethoxyphenyl)butane-1,4-diamine
SMILESCOc1ccc(NCCCCN)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-15-10-5-6-11(12(9-10)16-2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3
InChIKeyCQUHNBDIIZOVQD-UHFFFAOYSA-N
XLogP1.85
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
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

2,4-dimethoxy-N-pentylaniline
CID 28570496
N-(2,4-dimethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 82084110
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
2,4-dimethoxy-N-pent-4-ynylaniline
CID 115871890
N'-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diamine
CID 82121102
2,4-dimethoxy-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561339
N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987377
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
ethyl 3-(2,4-dimethoxyanilino)propanoate
CID 23052898
2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dimethoxyphenyl)butane-1,4-diamine?
The IUPAC name of N'-(2,4-dimethoxyphenyl)butane-1,4-diamine (CID 82114957) is N'-(2,4-dimethoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2,4-dimethoxyphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(2,4-dimethoxyphenyl)butane-1,4-diamine is COc1ccc(NCCCCN)c(OC)c1.
What is the InChIKey of N'-(2,4-dimethoxyphenyl)butane-1,4-diamine?
The InChIKey is CQUHNBDIIZOVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-15-10-5-6-11(12(9-10)16-2)14-8-4-3-7-13/h5-6,9,14H,3-4,7-8,13H2,1-2H3.
What are the key properties of N'-(2,4-dimethoxyphenyl)butane-1,4-diamine?
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine has a molecular weight of 224.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dimethoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 82114957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).