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

C16H24N2 — CID 62740321

IUPACN-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc(C)c1
InChIInChI=1S/C16H24N2/c1-3-17-13-10-15-7-8-16(11-13)18(15)14-6-4-5-12(2)9-14/h4-6,9,13,15-17H,3,7-8,10-11H2,1-2H3
InChIKeyRFXDCLMHINMLPT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.10
Rot. Bonds3

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

N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62740321) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62740321
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC NameN-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1cccc(C)c1
InChIInChI=1S/C16H24N2/c1-3-17-13-10-15-7-8-16(11-13)18(15)14-6-4-5-12(2)9-14/h4-6,9,13,15-17H,3,7-8,10-11H2,1-2H3
InChIKeyRFXDCLMHINMLPT-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-8-(3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62738604
8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
N-ethyl-2-methyl-1-(3-methylphenyl)piperidin-4-amine
CID 54975435
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769
N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739107
8-(3-bromo-2-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107639352
N-ethyl-3-(3-methylphenyl)cyclobutan-1-amine
CID 43632481
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739482
N-ethyl-8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62740321) is N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1cccc(C)c1.
What is the InChIKey of N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is RFXDCLMHINMLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-3-17-13-10-15-7-8-16(11-13)18(15)14-6-4-5-12(2)9-14/h4-6,9,13,15-17H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 244.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62740321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).