N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

C18H28N2 — CID 62739107

IUPACN-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-19-15-11-17-9-10-18(12-15)20(17)16-7-5-14(6-8-16)13(2)3/h5-8,13,15,17-19H,4,9-12H2,1-3H3
InChIKeyKPLHFVPPSIXZLO-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.92
Rot. Bonds4

About N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739107) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739107
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(C(C)C)cc1
InChIInChI=1S/C18H28N2/c1-4-19-15-11-17-9-10-18(12-15)20(17)16-7-5-14(6-8-16)13(2)3/h5-8,13,15,17-19H,4,9-12H2,1-3H3
InChIKeyKPLHFVPPSIXZLO-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3-chloro-4-methylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739467
8-(4-chloro-3-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106769
N-ethyl-9-(4-methylsulfanylphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712731
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
8-(4-bromo-3,5-dimethylphenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107579254
N-ethyl-8-[1-(4-methoxyphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 66242436
N-ethyl-8-(2,4,6-trichlorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739482
N-ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 62741048
9-(3,5-dichloro-4-fluorophenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107579272
8-(4-chlorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 55106091
8-(2-chloro-4-iodophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107608015

Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 62739107) is N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is KPLHFVPPSIXZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-19-15-11-17-9-10-18(12-15)20(17)16-7-5-14(6-8-16)13(2)3/h5-8,13,15,17-19H,4,9-12H2,1-3H3.
What are the key properties of N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 272.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-(4-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).