4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine

C15H24N2O — CID 63879433

IUPAC4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)CC2CC2C)ccc1N
InChIInChI=1S/C15H24N2O/c1-4-7-18-15-9-13(5-6-14(15)16)17(3)10-12-8-11(12)2/h5-6,9,11-12H,4,7-8,10,16H2,1-3H3
InChIKeyHWSXYDJKEZAJCA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.15
Rot. Bonds6

About 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine

4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine (PubChem CID 63879433) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
PubChem CID63879433
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(C)CC2CC2C)ccc1N
InChIInChI=1S/C15H24N2O/c1-4-7-18-15-9-13(5-6-14(15)16)17(3)10-12-8-11(12)2/h5-6,9,11-12H,4,7-8,10,16H2,1-3H3
InChIKeyHWSXYDJKEZAJCA-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.15
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

2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671361
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657003
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
2-ethoxy-4-N-methyl-4-N-(oxan-4-ylmethyl)benzene-1,4-diamine
CID 63725265
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
4-methyl-2-propoxyaniline
CID 24698653
2-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridin-4-amine
CID 63879390

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine (CID 63879433) is 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine is CCCOc1cc(N(C)CC2CC2C)ccc1N.
What is the InChIKey of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine?
The InChIKey is HWSXYDJKEZAJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-7-18-15-9-13(5-6-14(15)16)17(3)10-12-8-11(12)2/h5-6,9,11-12H,4,7-8,10,16H2,1-3H3.
What are the key properties of 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine?
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63879433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).