N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

C15H26N2O — CID 62557176

IUPACN-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCCNCCN(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2O/c1-14-7-4-5-8-15(14)13-17(2)11-10-16-9-6-12-18-3/h4-5,7-8,16H,6,9-13H2,1-3H3
InChIKeyMDOCEKINXWYRHA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.05
Rot. Bonds9

About N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine

N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 62557176) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID62557176
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine
SMILESCOCCCNCCN(C)Cc1ccccc1C
InChIInChI=1S/C15H26N2O/c1-14-7-4-5-8-15(14)13-17(2)11-10-16-9-6-12-18-3/h4-5,7-8,16H,6,9-13H2,1-3H3
InChIKeyMDOCEKINXWYRHA-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-bromo-3-methylphenyl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 107982204
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558392
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556651
N-(2-methoxyethyl)-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 62576056
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]acetamide
CID 112722389
N'-[(2-bromophenyl)methyl]-N-(4-ethoxybutyl)-N'-methylethane-1,2-diamine
CID 62558202
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
N'-[(2-bromophenyl)methyl]-N-butyl-N'-methylethane-1,2-diamine
CID 62556809

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine (CID 62557176) is N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is COCCCNCCN(C)Cc1ccccc1C.
What is the InChIKey of N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is MDOCEKINXWYRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-14-7-4-5-8-15(14)13-17(2)11-10-16-9-6-12-18-3/h4-5,7-8,16H,6,9-13H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine?
N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-methyl-N'-[(2-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 62557176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).