N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 43732518

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3
InChIKeyKHZXEXSNKYPFTO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.58
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 43732518) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID43732518
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1
InChIInChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3
InChIKeyKHZXEXSNKYPFTO-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,5-dimethylphenyl)ethylamino]cyclohexan-1-ol
CID 43751115
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
1-N-[1-(2,5-dimethylphenyl)ethyl]cyclohexane-1,3-diamine
CID 79459539
(2,5-dimethylphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112680940
N-[1-(2,5-dimethylphenyl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998779
1-benzyl-N-[1-(2,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 122176958
8-methyl-N-[(1R)-1-thiophen-2-ylethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 81398172
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyloxolan-3-amine
CID 113289535
(1S)-1-cycloheptyl-N-[1-(2,5-dimethylphenyl)ethyl]ethanamine
CID 81390923
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
3-[1-(2,5-dimethylphenyl)ethylamino]oxolan-2-one
CID 43824080

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 43732518) is N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is Cc1ccc(C)c(C(C)NC2CC3CCC(C2)N3C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KHZXEXSNKYPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-12-5-6-13(2)18(9-12)14(3)19-15-10-16-7-8-17(11-15)20(16)4/h5-6,9,14-17,19H,7-8,10-11H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 43732518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).