N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine

C14H25N3O — CID 155674929

IUPACN-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(N)cc1OC
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-11-12-6-7-13(15)10-14(12)18-3/h6-7,10,16H,4-5,8-9,11,15H2,1-3H3
InChIKeyAFDYFNMPKQZLFG-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.71
Rot. Bonds8

About N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine

N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 155674929) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
PubChem CID155674929
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNCc1ccc(N)cc1OC
InChIInChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-11-12-6-7-13(15)10-14(12)18-3/h6-7,10,16H,4-5,8-9,11,15H2,1-3H3
InChIKeyAFDYFNMPKQZLFG-UHFFFAOYSA-N
XLogP1.71
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl(2-methoxyethyl)amino]methyl]-3-methoxyaniline
CID 107208306
3-methoxy-4-[(2-methoxypropylamino)methyl]aniline
CID 107208570
2-[[4-[[2-(dimethylamino)ethylamino]methyl]-3-methoxyphenyl]methyl-ethylamino]ethanol
CID 84746090
N-[(2-aminophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66385429
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538298
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720726
3-methoxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106293675
N',N'-diethyl-N-[[2-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54861568
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538759
3-methoxy-4-[[(1-methylcyclobutyl)amino]methyl]aniline
CID 107208544
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17295740
N-[(2-chloro-4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580041

Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine (CID 155674929) is N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNCc1ccc(N)cc1OC.
What is the InChIKey of N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is AFDYFNMPKQZLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-17(5-2)9-8-16-11-12-6-7-13(15)10-14(12)18-3/h6-7,10,16H,4-5,8-9,11,15H2,1-3H3.
What are the key properties of N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine?
N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-2-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 155674929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).