N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

C12H20N2O — CID 3575354

IUPACN-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C12H20N2O/c1-14(2)8-7-13-10-11-5-4-6-12(9-11)15-3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyXMQLSZFTTPDIRP-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.35
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 3575354) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID3575354
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cccc(CNCCN(C)C)c1
InChIInChI=1S/C12H20N2O/c1-14(2)8-7-13-10-11-5-4-6-12(9-11)15-3/h4-6,9,13H,7-8,10H2,1-3H3
InChIKeyXMQLSZFTTPDIRP-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.35
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

N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
3-[(3-methoxyphenyl)methylamino]propane-1-thiol
CID 115224939
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
N-[(3-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 70966338
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N'-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239709
N'-[2-[2-[2-[(3-methoxyphenyl)methylamino]ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69239417
1-[2-[(3-methoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 4721134
4-iodo-N-[(3-methoxyphenyl)methyl]butan-1-amine
CID 106844685

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 3575354) is N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is COc1cccc(CNCCN(C)C)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XMQLSZFTTPDIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(2)8-7-13-10-11-5-4-6-12(9-11)15-3/h4-6,9,13H,7-8,10H2,1-3H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3575354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).