4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine

C14H24N2O — CID 54987138

IUPAC4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCOCCN(CC(C)C)c1ccc(N)c(C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)10-16(7-8-17-4)13-5-6-14(15)12(3)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyWSMLAXSQPLFJSR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.69
Rot. Bonds6

About 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine

4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine (PubChem CID 54987138) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
PubChem CID54987138
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine
SMILESCOCCN(CC(C)C)c1ccc(N)c(C)c1
InChIInChI=1S/C14H24N2O/c1-11(2)10-16(7-8-17-4)13-5-6-14(15)12(3)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3
InChIKeyWSMLAXSQPLFJSR-UHFFFAOYSA-N
XLogP2.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbenzenecarbothioamide
CID 81276883
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)aniline
CID 54987087
5-chloro-6-fluoro-1-N-(2-methoxyethyl)-1-N-(2-methylpropyl)benzene-1,2,4-triamine
CID 103552877
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
4-(2-aminopropyl)-N,N-bis(2-methoxyethyl)-3-methylaniline
CID 63815315
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]aniline
CID 63071872
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
2-N-ethyl-4-N-(2-methoxyethyl)-4-N-(2-methylpropyl)pyridine-2,4-diamine
CID 113367660
5-bromo-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)pyridine-2,3-diamine
CID 54986753
4-N-ethyl-4-N-(2-methoxybutyl)-2-methylbenzene-1,4-diamine
CID 67946748
4-N-ethyl-2-methyl-4-N-(2-trimethylsilyloxyethyl)benzene-1,4-diamine
CID 91723976

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine (CID 54987138) is 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine is COCCN(CC(C)C)c1ccc(N)c(C)c1.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine?
The InChIKey is WSMLAXSQPLFJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11(2)10-16(7-8-17-4)13-5-6-14(15)12(3)9-13/h5-6,9,11H,7-8,10,15H2,1-4H3.
What are the key properties of 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine?
4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-methyl-4-N-(2-methylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 54987138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).