N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C17H26N2 — CID 61231236

IUPACN-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccccc1C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2/c1-12-6-4-5-7-17(12)13(2)19(3)16-10-14-8-9-15(11-16)18-14/h4-7,13-16,18H,8-11H2,1-3H3
InChIKeyMWTRWIBSLVWQTH-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds3

About N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231236) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231236
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccccc1C(C)N(C)C1CC2CCC(C1)N2
InChIInChI=1S/C17H26N2/c1-12-6-4-5-7-17(12)13(2)19(3)16-10-14-8-9-15(11-16)18-14/h4-7,13-16,18H,8-11H2,1-3H3
InChIKeyMWTRWIBSLVWQTH-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
3-[methyl-[1-(2-methylphenyl)ethyl]amino]azetidine-1-carboxylic acid
CID 68593627
2-[1-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]ethyl]-4-methoxyphenol
CID 61231044
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323
N-[1-(3-fluorophenyl)propan-2-yl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 114832258
N-methyl-N-[1-(1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 113486991
N-methyl-N-(3-methyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62252991
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
CID 79115906
N-[cyclopropyl(thiophen-2-yl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54983159
N-[1-(4-bromophenyl)propyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231048
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylbenzamide;hydrochloride
CID 71758248
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61231236) is N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccccc1C(C)N(C)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MWTRWIBSLVWQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-6-4-5-7-17(12)13(2)19(3)16-10-14-8-9-15(11-16)18-14/h4-7,13-16,18H,8-11H2,1-3H3.
What are the key properties of N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).