3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

C13H17ClN2 — CID 175322165

IUPAC3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccccc1CN1CC2CCC(C1)N2
InChIInChI=1S/C13H17ClN2/c14-13-4-2-1-3-10(13)7-16-8-11-5-6-12(9-16)15-11/h1-4,11-12,15H,5-9H2
InChIKeyDXWMDDLHJCHJMK-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.28
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane

3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (PubChem CID 175322165) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
PubChem CID175322165
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
SMILESClc1ccccc1CN1CC2CCC(C1)N2
InChIInChI=1S/C13H17ClN2/c14-13-4-2-1-3-10(13)7-16-8-11-5-6-12(9-16)15-11/h1-4,11-12,15H,5-9H2
InChIKeyDXWMDDLHJCHJMK-UHFFFAOYSA-N
XLogP2.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorophenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927319
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)phenol
CID 115313739
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009445
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
3-(naphthalen-1-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane
CID 81495523
6-chloro-3-(3,8-diazabicyclo[3.2.1]octan-3-ylmethyl)pyridin-2-amine
CID 170649487
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane (CID 175322165) is 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is Clc1ccccc1CN1CC2CCC(C1)N2.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is DXWMDDLHJCHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-13-4-2-1-3-10(13)7-16-8-11-5-6-12(9-16)15-11/h1-4,11-12,15H,5-9H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane?
3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 236.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 175322165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).