N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine

C11H18N2O2 — CID 60888346

IUPACN'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(CNCCN)c1OC
InChIInChI=1S/C11H18N2O2/c1-14-10-5-3-4-9(11(10)15-2)8-13-7-6-12/h3-5,13H,6-8,12H2,1-2H3
InChIKeyMYYDJXSDECXQEK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds6

About N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine

N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine (PubChem CID 60888346) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
PubChem CID60888346
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
SMILESCOc1cccc(CNCCN)c1OC
InChIInChI=1S/C11H18N2O2/c1-14-10-5-3-4-9(11(10)15-2)8-13-7-6-12/h3-5,13H,6-8,12H2,1-2H3
InChIKeyMYYDJXSDECXQEK-UHFFFAOYSA-N
XLogP0.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
CID 59317356
CID 59317356
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
5-[(2,3-dimethoxyphenyl)methylamino]pentan-1-ol
CID 17206697
N-[(2,3-dimethoxyphenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 115632916
N-[3-[(2,3-dimethoxyphenyl)methylamino]propyl]acetamide
CID 82364656
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
N-[(2-chlorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine;hydrochloride
CID 17292043
N-[(2,6-difluorophenyl)methyl]-1-(2,3-dimethoxyphenyl)methanamine
CID 738592
N-[2-[(2,3-dimethoxyphenyl)methylamino]ethyl]methanesulfonamide
CID 28732222

Frequently Asked Questions

What is the IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine (CID 60888346) is N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine is COc1cccc(CNCCN)c1OC.
What is the InChIKey of N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine?
The InChIKey is MYYDJXSDECXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-14-10-5-3-4-9(11(10)15-2)8-13-7-6-12/h3-5,13H,6-8,12H2,1-2H3.
What are the key properties of N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine?
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine has a molecular weight of 210.28 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 60888346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).