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

C13H22N2O2 — CID 114987377

IUPACN-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(NCC(C)CCN)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-10(6-7-14)9-15-12-5-4-11(16-2)8-13(12)17-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyLHZOJBKMGOHWPC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.10
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine (PubChem CID 114987377) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
PubChem CID114987377
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
SMILESCOc1ccc(NCC(C)CCN)c(OC)c1
InChIInChI=1S/C13H22N2O2/c1-10(6-7-14)9-15-12-5-4-11(16-2)8-13(12)17-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3
InChIKeyLHZOJBKMGOHWPC-UHFFFAOYSA-N
XLogP2.10
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
N-(3,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine
CID 114987378
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-(3-fluoro-4-methoxyphenyl)-2-methylbutane-1,4-diamine
CID 115202281
ethyl 2-[2-(2,4-dimethoxyanilino)ethylamino]propanoate
CID 42847243
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
2-methyl-N'-(2,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 115198315
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N'-[(2,4-dimethoxyphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760955
2-(2,4-dimethoxyanilino)-N-pentan-2-ylacetamide
CID 60688672
2,4-dimethoxy-N-pentylaniline
CID 28570496
4-methoxy-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116501292

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine (CID 114987377) is N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine is COc1ccc(NCC(C)CCN)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine?
The InChIKey is LHZOJBKMGOHWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(6-7-14)9-15-12-5-4-11(16-2)8-13(12)17-3/h4-5,8,10,15H,6-7,9,14H2,1-3H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine?
N-(2,4-dimethoxyphenyl)-2-methylbutane-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.10, 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)-2-methylbutane-1,4-diamine is sourced from PubChem (CID 114987377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).