4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine

C17H23N3O — CID 63671602

IUPAC4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCCCOc1cc(N(C)CCc2ccccn2)ccc1N
InChIInChI=1S/C17H23N3O/c1-3-12-21-17-13-15(7-8-16(17)18)20(2)11-9-14-6-4-5-10-19-14/h4-8,10,13H,3,9,11-12,18H2,1-2H3
InChIKeyDWOVZVZCKCXHHG-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds7

About 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine

4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine (PubChem CID 63671602) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
PubChem CID63671602
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
SMILESCCCOc1cc(N(C)CCc2ccccn2)ccc1N
InChIInChI=1S/C17H23N3O/c1-3-12-21-17-13-15(7-8-16(17)18)20(2)11-9-14-6-4-5-10-19-14/h4-8,10,13H,3,9,11-12,18H2,1-2H3
InChIKeyDWOVZVZCKCXHHG-UHFFFAOYSA-N
XLogP3.13
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-propylbenzene-1,4-diamine
CID 63671140
2-N-methyl-6-propoxy-2-N-(2-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 43260799
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
5-ethoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725896
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
4-N-methyl-4-N-[(3-methylphenyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63671361
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]-2-propoxybenzene-1,4-diamine
CID 63879433
4-N-(4-methoxyphenyl)-4-N-methyl-2-propoxybenzene-1,4-diamine
CID 63677320

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine (CID 63671602) is 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine is CCCOc1cc(N(C)CCc2ccccn2)ccc1N.
What is the InChIKey of 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
The InChIKey is DWOVZVZCKCXHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-12-21-17-13-15(7-8-16(17)18)20(2)11-9-14-6-4-5-10-19-14/h4-8,10,13H,3,9,11-12,18H2,1-2H3.
What are the key properties of 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine?
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63671602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).