N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine

C17H23N3O — CID 656400

IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine
SMILES[3H]c1ccc(N(CCN(C)C)Cc2ccc(OC)cc2)nc1
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/i5T
InChIKeyYECBIJXISLIIDS-XHHURNKPSA-N
MW287.40 g/mol
LogP2.66
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine (PubChem CID 656400) has the molecular formula C17H23N3O and a molecular weight of 287.40 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine
PubChem CID656400
Molecular FormulaC17H23N3O
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine
SMILES[3H]c1ccc(N(CCN(C)C)Cc2ccc(OC)cc2)nc1
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/i5T
InChIKeyYECBIJXISLIIDS-XHHURNKPSA-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 ≤ 500287.40
LogP ≤ 52.66
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'-(5-tritio-2-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine (CID 656400) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine is [3H]c1ccc(N(CCN(C)C)Cc2ccc(OC)cc2)nc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine?
The InChIKey is YECBIJXISLIIDS-XHHURNKPSA-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/i5T.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(5-tritio-2-pyridinyl)ethane-1,2-diamine has a molecular weight of 287.40 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'-(5-tritio-2-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 656400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).