N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

C13H22N2O2 — CID 54805853

IUPACN'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(OC)cc1
InChIInChI=1S/C13H22N2O2/c1-16-11-3-8-14-9-10-15-12-4-6-13(17-2)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyQMBCNKRDWYZZPL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.73
Rot. Bonds9

About N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine

N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (PubChem CID 54805853) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
PubChem CID54805853
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
SMILESCOCCCNCCNc1ccc(OC)cc1
InChIInChI=1S/C13H22N2O2/c1-16-11-3-8-14-9-10-15-12-4-6-13(17-2)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyQMBCNKRDWYZZPL-UHFFFAOYSA-N
XLogP1.73
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
CID 54806182
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
4-methoxy-N-[3-[6-[3-(4-methoxyanilino)propoxy]naphthalen-2-yl]oxypropyl]aniline
CID 10096933
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]butan-1-amine
CID 65447103
N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
4-methoxy-N-(2-phenoxyethyl)aniline
CID 39347663
N-butyl-N'-(4-heptoxyphenyl)ethane-1,2-diamine
CID 54807141
N'-(4-heptoxyphenyl)-N-heptylethane-1,2-diamine
CID 54807015

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine (CID 54805853) is N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is COCCCNCCNc1ccc(OC)cc1.
What is the InChIKey of N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
The InChIKey is QMBCNKRDWYZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-16-11-3-8-14-9-10-15-12-4-6-13(17-2)7-5-12/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine?
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 54805853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).