N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C16H21N3 — CID 43563325

IUPACN'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13-5-7-15(8-6-13)16(17)12-19(2)11-14-4-3-9-18-10-14/h3-10,16H,11-12,17H2,1-2H3
InChIKeyGAISBPQYPKKEPC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.52
Rot. Bonds5

About N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 43563325) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID43563325
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1ccc(C(N)CN(C)Cc2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13-5-7-15(8-6-13)16(17)12-19(2)11-14-4-3-9-18-10-14/h3-10,16H,11-12,17H2,1-2H3
InChIKeyGAISBPQYPKKEPC-UHFFFAOYSA-N
XLogP2.52
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563312
3-N-methyl-3-N-(pyridin-3-ylmethyl)propane-1,2,3-triamine
CID 115119904
1-(2,4-difluorophenyl)-N'-methyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 107519684
2,6-dimethyl-4-[1-[methyl(pyridin-3-ylmethyl)amino]propan-2-yl]phenol
CID 59073565
2-[ethyl(pyridin-3-ylmethyl)amino]-1-(4-methylphenyl)ethanol
CID 71988626
2,2-diethoxy-N-methyl-N-(pyridin-3-ylmethyl)ethanamine
CID 55247242
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
methyl (2S)-2-methyl-3-[methyl(pyridin-3-ylmethyl)amino]propanoate
CID 93035101
N,5-dimethyl-N-(pyridin-3-ylmethyl)hexan-1-amine
CID 59176505
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-(bromomethyl)-N,3,3-trimethyl-N-(pyridin-3-ylmethyl)butan-1-amine
CID 65015832

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 43563325) is N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is Cc1ccc(C(N)CN(C)Cc2cccnc2)cc1.
What is the InChIKey of N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is GAISBPQYPKKEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-5-7-15(8-6-13)16(17)12-19(2)11-14-4-3-9-18-10-14/h3-10,16H,11-12,17H2,1-2H3.
What are the key properties of N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(4-methylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 43563325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).