(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane

C14H18ClN — CID 13382844

IUPAC(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
SMILESClC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H18ClN/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12?,13-,14+
InChIKeyVFIMALKXGXQWPK-AGUYFDCRSA-N
MW235.76 g/mol
LogP3.42
Rot. Bonds2

About (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane

(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane (PubChem CID 13382844) has the molecular formula C14H18ClN and a molecular weight of 235.76 g/mol. Its IUPAC name is (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
PubChem CID13382844
Molecular FormulaC14H18ClN
Molecular Weight235.76 g/mol
Exact Mass235.11
IUPAC Name(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
SMILESClC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1
InChIInChI=1S/C14H18ClN/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12?,13-,14+
InChIKeyVFIMALKXGXQWPK-AGUYFDCRSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane 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

(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
8-[(3-bromophenyl)methyl]-3-chloro-8-azabicyclo[3.2.1]octane
CID 63762034
8-benzyl-3-phenyl-8-azabicyclo[3.2.1]octane
CID 154275315
8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
2-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid;hydrochloride
CID 70510965
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylhydroxylamine
CID 143720504
3-chloro-8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 63764692
[(1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl] carbonochloridate;hydrochloride
CID 14762758
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 98110557

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane (CID 13382844) is (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane is ClC1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1.
What is the InChIKey of (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane?
The InChIKey is VFIMALKXGXQWPK-AGUYFDCRSA-N. The full InChI is InChI=1S/C14H18ClN/c15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2/t12?,13-,14+.
What are the key properties of (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane has a molecular weight of 235.76 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 13382844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).