N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C19H30N2 — CID 61231866

IUPACN-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1ccc(C(C)N(CC)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H30N2/c1-4-15-6-8-16(9-7-15)14(3)21(5-2)19-12-17-10-11-18(13-19)20-17/h6-9,14,17-20H,4-5,10-13H2,1-3H3
InChIKeyNHMKLNFFDKYOFC-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.91
Rot. Bonds5

About N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231866) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231866
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCc1ccc(C(C)N(CC)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C19H30N2/c1-4-15-6-8-16(9-7-15)14(3)21(5-2)19-12-17-10-11-18(13-19)20-17/h6-9,14,17-20H,4-5,10-13H2,1-3H3
InChIKeyNHMKLNFFDKYOFC-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-chloro-4-fluorophenyl)ethyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230545
N-ethyl-N-[1-(4-ethylphenyl)ethyl]piperidin-3-amine
CID 63644319
N-ethyl-N-[1-(5-methylfuran-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61230349
N-[1-(4-bromophenyl)propyl]-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230921
N-[1-(4-fluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232574
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068
N-ethyl-N-pentan-3-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232830
N-[1-(3-chlorophenyl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231118
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61333588
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
CID 119831119
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61231866) is N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CCc1ccc(C(C)N(CC)C2CC3CCC(C2)N3)cc1.
What is the InChIKey of N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is NHMKLNFFDKYOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-15-6-8-16(9-7-15)14(3)21(5-2)19-12-17-10-11-18(13-19)20-17/h6-9,14,17-20H,4-5,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 286.46 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(4-ethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).