N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

C17H23N3O — CID 4992

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
InChIKeyYECBIJXISLIIDS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 4992) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID4992
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ccccn2)cc1
InChIInChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
InChIKeyYECBIJXISLIIDS-UHFFFAOYSA-N
XLogP2.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrilamine Maleate
CID 5284451
Thonzylamine
CID 5457
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
Pyrilamine hydrochloride
CID 80139
Piperazine, 1-(3,4-methylenedioxybenzyl)-4-(2-pyridyl)-
CID 100984
2-(4-Methoxyphenyl)imidazo[1,2-a]pyridine
CID 694963
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
N-[(4-methoxyphenyl)methyl]-5-nitropyridin-2-amine
CID 3455584
Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 4992) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is YECBIJXISLIIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.66, 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'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 4992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).