N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

C13H22N2O — CID 95445406

IUPACN'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1cc(CN(C)CCN)ccc1OC
InChIInChI=1S/C13H22N2O/c1-4-12-9-11(5-6-13(12)16-3)10-15(2)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyYNNQGJKFZUKKMF-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds6

About N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine

N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 95445406) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
PubChem CID95445406
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
SMILESCCc1cc(CN(C)CCN)ccc1OC
InChIInChI=1S/C13H22N2O/c1-4-12-9-11(5-6-13(12)16-3)10-15(2)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyYNNQGJKFZUKKMF-UHFFFAOYSA-N
XLogP1.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
1-N-[(3-ethyl-4-methoxyphenyl)methyl]-1-N-methylbutane-1,3-diamine
CID 115199411
2-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251569
N-ethyl-N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 115205912
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 65340742
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N,N'-dimethylpropane-1,3-diamine
CID 115197907
N'-[(4-methoxy-3-nitrophenyl)methyl]-N'-methylethane-1,2-diamine
CID 55103758
3-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135387
N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-methyl-2-propan-2-yloxyethanamine
CID 81058780
N'-[(4-ethoxy-3-methylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98783803
[2-methoxy-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 65341080
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886

Frequently Asked Questions

What is the IUPAC name of N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine (CID 95445406) is N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is CCc1cc(CN(C)CCN)ccc1OC.
What is the InChIKey of N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is YNNQGJKFZUKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-12-9-11(5-6-13(12)16-3)10-15(2)8-7-14/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine?
N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-ethyl-4-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 95445406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).