N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine

C21H22N2 — CID 90708828

IUPACN-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H22N2/c1-17-6-8-18(9-7-17)15-23(2)16-19-4-3-5-21(14-19)20-10-12-22-13-11-20/h3-14H,15-16H2,1-2H3
InChIKeyXTOJBGYFRYIWGV-UHFFFAOYSA-N
MW302.42 g/mol
LogP4.69
Rot. Bonds5

About N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine

N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine (PubChem CID 90708828) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine
PubChem CID90708828
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC NameN-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cccc(-c3ccncc3)c2)cc1
InChIInChI=1S/C21H22N2/c1-17-6-8-18(9-7-17)15-23(2)16-19-4-3-5-21(14-19)20-10-12-22-13-11-20/h3-14H,15-16H2,1-2H3
InChIKeyXTOJBGYFRYIWGV-UHFFFAOYSA-N
XLogP4.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-N-[(3-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91424656
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(3-pyridin-4-ylphenyl)methanamine
CID 75470714
3-[methyl-[[3-(4-methylphenyl)phenyl]methyl]amino]propanoic acid
CID 122037165
1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine
CID 157137362
N-methyl-1-(4-methylphenyl)-N-[(4-pyrimidin-2-ylphenyl)methyl]methanamine
CID 91342631
N-methyl-N-[[4-(4-methylphenyl)phenyl]methyl]ethanamine
CID 58518810
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887247
N-[[3-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]ethanamine
CID 62432377
2-chloro-N-ethyl-4-methyl-N-[(3-pyridin-4-ylphenyl)methyl]benzenesulfonamide
CID 166215305
butane;4-(3-methylphenyl)pyridine
CID 155692257
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-1-(4-pyridin-3-ylphenyl)methanamine
CID 56898566

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine (CID 90708828) is N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine is Cc1ccc(CN(C)Cc2cccc(-c3ccncc3)c2)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine?
The InChIKey is XTOJBGYFRYIWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-17-6-8-18(9-7-17)15-23(2)16-19-4-3-5-21(14-19)20-10-12-22-13-11-20/h3-14H,15-16H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine?
N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine has a molecular weight of 302.42 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-N-[(3-pyridin-4-ylphenyl)methyl]methanamine is sourced from PubChem (CID 90708828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).