N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine

C16H21N3 — CID 43211751

IUPACN-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13-5-7-14(8-6-13)12-19(2)16(10-17)15-4-3-9-18-11-15/h3-9,11,16H,10,12,17H2,1-2H3
InChIKeyPRWRXPXPDUGXQY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.52
Rot. Bonds5

About N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine

N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 43211751) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
PubChem CID43211751
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine
SMILESCc1ccc(CN(C)C(CN)c2cccnc2)cc1
InChIInChI=1S/C16H21N3/c1-13-5-7-14(8-6-13)12-19(2)16(10-17)15-4-3-9-18-11-15/h3-9,11,16H,10,12,17H2,1-2H3
InChIKeyPRWRXPXPDUGXQY-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

N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
N-[(4-fluorophenyl)methyl]-N-methyl-1-pyridin-3-ylethane-1,2-diamine
CID 61413578
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
N-methyl-N-(2-methylsulfonylethyl)-1-pyridin-3-ylethane-1,2-diamine
CID 79844182
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
N-methyl-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylethane-1,2-diamine
CID 112657642
N-methyl-N-(pyridin-3-ylmethyl)-1-pyrimidin-4-ylethane-1,2-diamine
CID 63986235
N-methyl-1-(5-methylfuran-2-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563212
N-methyl-1-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63207068
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine (CID 43211751) is N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine is Cc1ccc(CN(C)C(CN)c2cccnc2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is PRWRXPXPDUGXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-5-7-14(8-6-13)12-19(2)16(10-17)15-4-3-9-18-11-15/h3-9,11,16H,10,12,17H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine?
N-methyl-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-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-N-[(4-methylphenyl)methyl]-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 43211751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).