2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane

C15H21N — CID 162295385

IUPAC2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1C1C(C)N2CCC1(C)C2
InChIInChI=1S/C15H21N/c1-11-6-4-5-7-13(11)14-12(2)16-9-8-15(14,3)10-16/h4-7,12,14H,8-10H2,1-3H3
InChIKeyQVXNAWDMXMIRSO-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.19
Rot. Bonds1

About 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane

2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane (PubChem CID 162295385) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
PubChem CID162295385
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
SMILESCc1ccccc1C1C(C)N2CCC1(C)C2
InChIInChI=1S/C15H21N/c1-11-6-4-5-7-13(11)14-12(2)16-9-8-15(14,3)10-16/h4-7,12,14H,8-10H2,1-3H3
InChIKeyQVXNAWDMXMIRSO-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-3-(1-methylpyridin-1-ium-2-yl)-1-azabicyclo[2.2.2]octane
CID 162295477
1,2,2,3-tetramethyl-4-(2-methylphenyl)pyrrolidine
CID 130451575
(2R)-2-methyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane
CID 137454235
(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
5,8,8-trimethyl-2-(2-methylphenyl)tricyclo[3.2.1.01,3]octan-4-one
CID 23284122
8-[(2R)-2,4-dimethyl-1-azabicyclo[2.2.2]octan-3-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 137454823
2,4-dimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;8,10-dimethyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2-methyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;10-methyl-9-(2,3,5-trimethylphenyl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene;2,3,4,6-tetramethyl-5-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane;2,7,7-trimethyl-3-(2,3,5-trimethylphenyl)-1-azabicyclo[2.2.1]heptane
CID 162295296
5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 6485518
6-(2-methylphenyl)-4-azaspiro[2.4]heptane
CID 105442772
4,4-dimethyl-2-(2-methylphenyl)-1,3-oxazolidine;hydrochloride
CID 117228480
4-(2-methylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83539442
4-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperidine-4-carboxylic acid
CID 104524822

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane (CID 162295385) is 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane is Cc1ccccc1C1C(C)N2CCC1(C)C2.
What is the InChIKey of 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
The InChIKey is QVXNAWDMXMIRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11-6-4-5-7-13(11)14-12(2)16-9-8-15(14,3)10-16/h4-7,12,14H,8-10H2,1-3H3.
What are the key properties of 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane?
2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane has a molecular weight of 215.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(2-methylphenyl)-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 162295385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).