N-methyl-2-(2-methylphenyl)ethanamine;toluene

C17H23N — CID 142152670

IUPACN-methyl-2-(2-methylphenyl)ethanamine;toluene
SMILESCNCCc1ccccc1C.Cc1ccccc1
InChIInChI=1S/C10H15N.C7H8/c1-9-5-3-4-6-10(9)7-8-11-2;1-7-5-3-2-4-6-7/h3-6,11H,7-8H2,1-2H3;2-6H,1H3
InChIKeyGBRLQRPJHWUXTP-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-2-(2-methylphenyl)ethanamine;toluene

N-methyl-2-(2-methylphenyl)ethanamine;toluene (PubChem CID 142152670) has the molecular formula C17H23N and a molecular weight of 241.38 g/mol. Its IUPAC name is N-methyl-2-(2-methylphenyl)ethanamine;toluene.

Molecular Properties

Compound NameN-methyl-2-(2-methylphenyl)ethanamine;toluene
PubChem CID142152670
Molecular FormulaC17H23N
Molecular Weight241.38 g/mol
Exact Mass241.18
IUPAC NameN-methyl-2-(2-methylphenyl)ethanamine;toluene
SMILESCNCCc1ccccc1C.Cc1ccccc1
InChIInChI=1S/C10H15N.C7H8/c1-9-5-3-4-6-10(9)7-8-11-2;1-7-5-3-2-4-6-7/h3-6,11H,7-8H2,1-2H3;2-6H,1H3
InChIKeyGBRLQRPJHWUXTP-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]phenyl]ethanamine
CID 115463972
N-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115202150
N,2-dimethyl-N-[[2-[2-(methylamino)ethyl]phenyl]methyl]aniline
CID 115463927
1-ethyl-2-methylbenzene;propane;toluene
CID 159725880
2-(2,5-dimethylphenyl)-1-[2-[2-(methylamino)ethyl]phenyl]ethanone
CID 116613314
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
2-(2-bromophenyl)-N-methylethanamine
CID 11964124
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
2-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62744403
(E)-3-[2-(2-methylphenyl)ethylamino]prop-2-enoic acid
CID 103256398
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
toluene;bis(1,2-xylene)
CID 174594728

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylphenyl)ethanamine;toluene?
The IUPAC name of N-methyl-2-(2-methylphenyl)ethanamine;toluene (CID 142152670) is N-methyl-2-(2-methylphenyl)ethanamine;toluene.
What is the SMILES notation for N-methyl-2-(2-methylphenyl)ethanamine;toluene?
The canonical SMILES for N-methyl-2-(2-methylphenyl)ethanamine;toluene is CNCCc1ccccc1C.Cc1ccccc1.
What is the InChIKey of N-methyl-2-(2-methylphenyl)ethanamine;toluene?
The InChIKey is GBRLQRPJHWUXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C7H8/c1-9-5-3-4-6-10(9)7-8-11-2;1-7-5-3-2-4-6-7/h3-6,11H,7-8H2,1-2H3;2-6H,1H3.
What are the key properties of N-methyl-2-(2-methylphenyl)ethanamine;toluene?
N-methyl-2-(2-methylphenyl)ethanamine;toluene has a molecular weight of 241.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylphenyl)ethanamine;toluene is sourced from PubChem (CID 142152670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).