4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine

C17H28N2O2 — CID 63676257

IUPAC4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(CCOC)C(C)C2CC2)ccc1N
InChIInChI=1S/C17H28N2O2/c1-4-10-21-17-12-15(7-8-16(17)18)19(9-11-20-3)13(2)14-5-6-14/h7-8,12-14H,4-6,9-11,18H2,1-3H3
InChIKeyNHWSXFOJTQGAJU-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.31
Rot. Bonds9

About 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine

4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine (PubChem CID 63676257) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
PubChem CID63676257
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(N(CCOC)C(C)C2CC2)ccc1N
InChIInChI=1S/C17H28N2O2/c1-4-10-21-17-12-15(7-8-16(17)18)19(9-11-20-3)13(2)14-5-6-14/h7-8,12-14H,4-6,9-11,18H2,1-3H3
InChIKeyNHWSXFOJTQGAJU-UHFFFAOYSA-N
XLogP3.31
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 107274835
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320
(1R)-1-[5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938600
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-2-propoxybenzene-1,4-diamine
CID 112657152
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
2-N-(1-cyclopropylethyl)-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,5-diamine
CID 55004688
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
CID 82784856
2-(4-amino-N-cyclopentyl-3-propoxyanilino)ethanol
CID 63676661
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine (CID 63676257) is 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine is CCCOc1cc(N(CCOC)C(C)C2CC2)ccc1N.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine?
The InChIKey is NHWSXFOJTQGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-10-21-17-12-15(7-8-16(17)18)19(9-11-20-3)13(2)14-5-6-14/h7-8,12-14H,4-6,9-11,18H2,1-3H3.
What are the key properties of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine?
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine has a molecular weight of 292.42 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 63676257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).