1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine

C15H26N2O — CID 62436283

IUPAC1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCCNCCC(C)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-16-11-10-13(2)17(3)12-14-8-6-7-9-15(14)18-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyLEPASVJOJHZWCJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.52
Rot. Bonds8

About 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine

1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine (PubChem CID 62436283) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
PubChem CID62436283
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
SMILESCCNCCC(C)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H26N2O/c1-5-16-11-10-13(2)17(3)12-14-8-6-7-9-15(14)18-4/h6-9,13,16H,5,10-12H2,1-4H3
InChIKeyLEPASVJOJHZWCJ-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.52
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

1-N-tert-butyl-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 62435403
2-N-[(2-methoxyphenyl)methyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55072074
1-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83054110
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 62437342
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N-methylpentan-2-amine
CID 115463757
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
N-ethyl-N'-[(2-methoxyphenyl)methyl]-N'-methylpentane-1,5-diamine
CID 62435578
2-N-[(2-methoxyphenyl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61420132
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
2-[(2-methoxyphenyl)methyl-methylamino]propanenitrile
CID 60646378
4-[2-(2-methoxyphenyl)ethylamino]butan-2-ol
CID 106261294
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine (CID 62436283) is 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine is CCNCCC(C)N(C)Cc1ccccc1OC.
What is the InChIKey of 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine?
The InChIKey is LEPASVJOJHZWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-16-11-10-13(2)17(3)12-14-8-6-7-9-15(14)18-4/h6-9,13,16H,5,10-12H2,1-4H3.
What are the key properties of 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine?
1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine has a molecular weight of 250.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 62436283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).