N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine

C12H20N2O — CID 54806182

IUPACN-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
SMILESCOCCCNCCNc1ccccc1
InChIInChI=1S/C12H20N2O/c1-15-11-5-8-13-9-10-14-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyZIOLRNWJSXJPLI-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.72
Rot. Bonds8

About N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine

N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine (PubChem CID 54806182) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
PubChem CID54806182
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-(3-methoxypropyl)-N'-phenylethane-1,2-diamine
SMILESCOCCCNCCNc1ccccc1
InChIInChI=1S/C12H20N2O/c1-15-11-5-8-13-9-10-14-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3
InChIKeyZIOLRNWJSXJPLI-UHFFFAOYSA-N
XLogP1.72
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxybutyl)aniline
CID 13042774
N'-(4-methoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805853
N'-(4-chlorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54805618
N'-(3-ethoxyphenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 54808343
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N'-benzyl-N-(3-methoxypropyl)ethane-1,2-diamine;carbanide;methoxymethane;uranium(2+)
CID 169243785
N-[4-(3-methoxypropylamino)phenyl]benzamide
CID 112981031
N-(2,2-difluoro-2-phenylethyl)-3-methoxypropan-1-amine
CID 116788817
4-methoxy-N-(3-methoxypropyl)aniline
CID 60925973
aniline;3-(2-methoxyethoxy)propan-1-amine;4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 154679408
3-(2-methoxyethoxy)-N-(3-phenoxypropyl)propan-1-amine
CID 103605643

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine (CID 54806182) is N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine is COCCCNCCNc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine?
The InChIKey is ZIOLRNWJSXJPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-15-11-5-8-13-9-10-14-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3.
What are the key properties of N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine?
N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 54806182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).