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

C12H20N2O — CID 61420082

IUPAC2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCOc1cccc(CN(C)C(C)CN)c1
InChIInChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-5-4-6-12(7-11)15-3/h4-7,10H,8-9,13H2,1-3H3
InChIKeyJXEDMSRAIUUNKF-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.47
Rot. Bonds5

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

2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (PubChem CID 61420082) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
PubChem CID61420082
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
SMILESCOc1cccc(CN(C)C(C)CN)c1
InChIInChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-5-4-6-12(7-11)15-3/h4-7,10H,8-9,13H2,1-3H3
InChIKeyJXEDMSRAIUUNKF-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599
N-[(3-methoxyphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 61420129
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62568221
2-N-[(3-methoxyphenyl)methyl]-2-N-methyloctane-1,2-diamine
CID 61420511
2-[(3-methoxyphenyl)methyl-methylamino]butanamide
CID 62899149
1-N-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 62411763
N-[(3-methoxyphenyl)methyl]-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61419943
2-N-[(3-methoxyphenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042805
N'-hydroxy-2-[(3-methoxyphenyl)methyl-methylamino]butanimidamide
CID 76915706
1-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-methylcyclopropan-1-amine
CID 106661100
4-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-N-propan-2-ylaniline
CID 43276120

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine (CID 61420082) is 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is COc1cccc(CN(C)C(C)CN)c1.
What is the InChIKey of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is JXEDMSRAIUUNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10(8-13)14(2)9-11-5-4-6-12(7-11)15-3/h4-7,10H,8-9,13H2,1-3H3.
What are the key properties of 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine?
2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 61420082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).