N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine

C13H22N2O — CID 103102095

IUPACN'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C13H22N2O/c1-4-15(8-7-14)10-12-6-5-11(2)13(9-12)16-3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyCKBSCHSXJVMYHT-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.78
Rot. Bonds6

About N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine

N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine (PubChem CID 103102095) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
PubChem CID103102095
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine
SMILESCCN(CCN)Cc1ccc(C)c(OC)c1
InChIInChI=1S/C13H22N2O/c1-4-15(8-7-14)10-12-6-5-11(2)13(9-12)16-3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyCKBSCHSXJVMYHT-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(4-chloro-3-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103102286
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
2-(3-methoxy-4-methylphenyl)ethanamine
CID 13015320
N'-[(3,4-dimethoxyphenyl)methyl]-N,N'-diethylethane-1,2-diamine
CID 54986542
N'-[(3,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61348360
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 61481983
5-(diethylaminomethyl)-2-methoxyaniline
CID 29272603
N'-ethyl-N'-[(2-methylquinolin-6-yl)methyl]ethane-1,2-diamine
CID 114231068
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420
N'-[(4-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
CID 66568273
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine (CID 103102095) is N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine is CCN(CCN)Cc1ccc(C)c(OC)c1.
What is the InChIKey of N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine?
The InChIKey is CKBSCHSXJVMYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-4-15(8-7-14)10-12-6-5-11(2)13(9-12)16-3/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine?
N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine has a molecular weight of 222.33 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(3-methoxy-4-methylphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 103102095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).