2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine

C21H23N3 — CID 144884135

IUPAC2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(CCN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C21H23N3/c1-18-8-10-19(11-9-18)12-15-24(16-20-6-2-4-13-22-20)17-21-7-3-5-14-23-21/h2-11,13-14H,12,15-17H2,1H3
InChIKeyOFDJAQBXSPEQNS-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.03
Rot. Bonds7

About 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine

2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine (PubChem CID 144884135) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
PubChem CID144884135
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESCc1ccc(CCN(Cc2ccccn2)Cc2ccccn2)cc1
InChIInChI=1S/C21H23N3/c1-18-8-10-19(11-9-18)12-15-24(16-20-6-2-4-13-22-20)17-21-7-3-5-14-23-21/h2-11,13-14H,12,15-17H2,1H3
InChIKeyOFDJAQBXSPEQNS-UHFFFAOYSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
ethane;N-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 143251058
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
1-(4-dodecylphenyl)-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 70525821
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
N-(2,4-dimethylphenyl)-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;iron(2+);dibromide
CID 21097706
N-(4-methylphenyl)sulfanyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 134442602
2-[(4-tert-butylphenyl)methyl-(pyridin-2-ylmethyl)amino]ethanethiol
CID 15532866
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine (CID 144884135) is 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine is Cc1ccc(CCN(Cc2ccccn2)Cc2ccccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The InChIKey is OFDJAQBXSPEQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-18-8-10-19(11-9-18)12-15-24(16-20-6-2-4-13-22-20)17-21-7-3-5-14-23-21/h2-11,13-14H,12,15-17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine?
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine has a molecular weight of 317.44 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 144884135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).