(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine

C18H28N2 — CID 115998020

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C18H28N2/c1-11-7-13(3)17(8-12(11)2)18(19)14-9-15-5-6-16(10-14)20(15)4/h7-8,14-16,18H,5-6,9-10,19H2,1-4H3
InChIKeyHYMQLNQOHMEICZ-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.48
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine (PubChem CID 115998020) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
PubChem CID115998020
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
SMILESCc1cc(C)c(C(N)C2CC3CCC(C2)N3C)cc1C
InChIInChI=1S/C18H28N2/c1-11-7-13(3)17(8-12(11)2)18(19)14-9-15-5-6-16(10-14)20(15)4/h7-8,14-16,18H,5-6,9-10,19H2,1-4H3
InChIKeyHYMQLNQOHMEICZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 115998144
(3-ethylcyclohexyl)-(2,4,5-trimethylphenyl)methanamine
CID 65415344
(2-methylcyclopropyl)-(2,4,5-trimethylphenyl)methanamine
CID 65422351
(2-fluoro-3-methoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998037
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990610
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115997940
(3,4-dimethoxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998021
[(2,4-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]hydrazine
CID 105265750
(2,6-difluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681101
(1R)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 104932140

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine (CID 115998020) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine is Cc1cc(C)c(C(N)C2CC3CCC(C2)N3C)cc1C.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine?
The InChIKey is HYMQLNQOHMEICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-11-7-13(3)17(8-12(11)2)18(19)14-9-15-5-6-16(10-14)20(15)4/h7-8,14-16,18H,5-6,9-10,19H2,1-4H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine has a molecular weight of 272.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine is sourced from PubChem (CID 115998020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).