N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine

C15H26N2O — CID 62561630

IUPACN'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)c1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-4-17(11-10-16-9-6-12-18-3)15-8-5-7-14(2)13-15/h5,7-8,13,16H,4,6,9-12H2,1-3H3
InChIKeyYEXSFXHBGDZRSM-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds9

About N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine

N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 62561630) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID62561630
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCN(CCNCCCOC)c1cccc(C)c1
InChIInChI=1S/C15H26N2O/c1-4-17(11-10-16-9-6-12-18-3)15-8-5-7-14(2)13-15/h5,7-8,13,16H,4,6,9-12H2,1-3H3
InChIKeyYEXSFXHBGDZRSM-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
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-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
N'-ethyl-N'-(4-fluorophenyl)-N-(3-methoxypropyl)ethane-1,2-diamine
CID 62555031
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N,N-diethyl-3-[3-(2-methoxyethylamino)propoxy]aniline
CID 62582854
N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
1-ethyl-3-[2-(N-ethyl-3-methylanilino)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111330570
1-ethyl-3-(3-methoxypropyl)-1-(3-methylphenyl)urea
CID 108988156
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077133
1-[2-(N-ethyl-3-methylanilino)ethyl]-3-(3-hydroxypropyl)urea
CID 110892216

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine (CID 62561630) is N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine is CCN(CCNCCCOC)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is YEXSFXHBGDZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-17(11-10-16-9-6-12-18-3)15-8-5-7-14(2)13-15/h5,7-8,13,16H,4,6,9-12H2,1-3H3.
What are the key properties of N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine?
N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methoxypropyl)-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62561630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).