N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine

C21H27N3 — CID 166285605

IUPACN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
SMILESCC(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H27N3/c1-15(23-14-16-12-20-6-7-21(13-16)24-20)17-2-4-18(5-3-17)19-8-10-22-11-9-19/h2-5,8-11,15-16,20-21,23-24H,6-7,12-14H2,1H3/t15?,16?,20-,21+
InChIKeyYQUAUEAZKNORFR-XSAKXSFLSA-N
MW321.47 g/mol
LogP3.93
Rot. Bonds5

About N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine

N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine (PubChem CID 166285605) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
PubChem CID166285605
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC NameN-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine
SMILESCC(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H27N3/c1-15(23-14-16-12-20-6-7-21(13-16)24-20)17-2-4-18(5-3-17)19-8-10-22-11-9-19/h2-5,8-11,15-16,20-21,23-24H,6-7,12-14H2,1H3/t15?,16?,20-,21+
InChIKeyYQUAUEAZKNORFR-XSAKXSFLSA-N
XLogP3.93
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine 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-(4-pyridin-4-ylphenyl)ethyl]thian-4-amine
CID 75428536
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305
(1S)-N-(cyclohex-3-en-1-ylmethyl)-1-pyridin-4-ylethanamine
CID 81405941
3-[1-(4-pyridin-4-ylphenyl)ethylamino]propanoic acid
CID 139017053
(1S)-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276963
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-4-ylethanamine
CID 103276065
1-(4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013394
[4-[[1-(4-pyridin-4-ylphenyl)ethylamino]methyl]phenyl]methanol
CID 110009844
N-(cyclobutylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 43298332
2-cyclopropyl-N-(1-pyridin-4-ylethyl)propan-1-amine
CID 115663663
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The IUPAC name of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine (CID 166285605) is N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine.
What is the SMILES notation for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The canonical SMILES for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine is CC(NCC1C[C@H]2CC[C@@H](C1)N2)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
The InChIKey is YQUAUEAZKNORFR-XSAKXSFLSA-N. The full InChI is InChI=1S/C21H27N3/c1-15(23-14-16-12-20-6-7-21(13-16)24-20)17-2-4-18(5-3-17)19-8-10-22-11-9-19/h2-5,8-11,15-16,20-21,23-24H,6-7,12-14H2,1H3/t15?,16?,20-,21+.
What are the key properties of N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine?
N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine has a molecular weight of 321.47 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-(4-pyridin-4-ylphenyl)ethanamine is sourced from PubChem (CID 166285605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).