N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine

C18H25N3O — CID 110174431

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2cccc(C)n2)cc1
InChIInChI=1S/C18H25N3O/c1-15-6-5-7-18(19-15)21(13-12-20(2)3)14-16-8-10-17(22-4)11-9-16/h5-11H,12-14H2,1-4H3
InChIKeyDLKJAKPXRULDDZ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.97
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine (PubChem CID 110174431) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
PubChem CID110174431
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2cccc(C)n2)cc1
InChIInChI=1S/C18H25N3O/c1-15-6-5-7-18(19-15)21(13-12-20(2)3)14-16-8-10-17(22-4)11-9-16/h5-11H,12-14H2,1-4H3
InChIKeyDLKJAKPXRULDDZ-UHFFFAOYSA-N
XLogP2.97
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine (CID 110174431) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2cccc(C)n2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is DLKJAKPXRULDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15-6-5-7-18(19-15)21(13-12-20(2)3)14-16-8-10-17(22-4)11-9-16/h5-11H,12-14H2,1-4H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(6-methyl-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 110174431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).