4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine

C13H22N2O — CID 63671140

IUPAC4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
SMILESCCCOc1cc(N(C)CCC)ccc1N
InChIInChI=1S/C13H22N2O/c1-4-8-15(3)11-6-7-12(14)13(10-11)16-9-5-2/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyGCKVKYBGVFMHDJ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.90
Rot. Bonds6

About 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine

4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine (PubChem CID 63671140) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
PubChem CID63671140
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
SMILESCCCOc1cc(N(C)CCC)ccc1N
InChIInChI=1S/C13H22N2O/c1-4-8-15(3)11-6-7-12(14)13(10-11)16-9-5-2/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyGCKVKYBGVFMHDJ-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.90
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-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
2-ethoxy-4-N-(2-methoxyethyl)-4-N-methylbenzene-1,4-diamine
CID 63671709
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671361
2-(4-amino-N-ethyl-3-propoxyanilino)ethanol
CID 63670341
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
4-N-(2-ethoxyethyl)-4-N-ethyl-2-propoxybenzene-1,4-diamine
CID 63695941
4-[3-(dimethylamino)propoxy]-2-propoxyaniline
CID 63678219
4-N-methyl-4-N-pentyl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002018
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657003
4-methyl-2-propoxyaniline
CID 24698653

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine?
The IUPAC name of 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine (CID 63671140) is 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine is CCCOc1cc(N(C)CCC)ccc1N.
What is the InChIKey of 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine?
The InChIKey is GCKVKYBGVFMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-8-15(3)11-6-7-12(14)13(10-11)16-9-5-2/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine?
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine is sourced from PubChem (CID 63671140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).