6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane

C12H14ClNO — CID 83823125

IUPAC6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESClc1ccccc1OCC1C2CNCC21
InChIInChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2
InChIKeyXTPAINBWIYKYTA-UHFFFAOYSA-N
MW223.70 g/mol
LogP2.18
Rot. Bonds3

About 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane

6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 83823125) has the molecular formula C12H14ClNO and a molecular weight of 223.70 g/mol. Its IUPAC name is 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID83823125
Molecular FormulaC12H14ClNO
Molecular Weight223.70 g/mol
Exact Mass223.08
IUPAC Name6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
SMILESClc1ccccc1OCC1C2CNCC21
InChIInChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2
InChIKeyXTPAINBWIYKYTA-UHFFFAOYSA-N
XLogP2.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(2-fluorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane
CID 83820223
2-[(2-chlorophenoxy)methyl]thiomorpholine
CID 83488099
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
(1S,5R)-6-[[4-(2-chlorophenoxy)piperidin-1-yl]methyl]-3-azabicyclo[3.1.0]hexane;dihydrochloride
CID 154894592
2-[(2-chlorophenoxy)methyl]-1,3-dioxolane
CID 82078485
3-(2-chlorophenoxy)azetidine;hydrochloride
CID 66591566
[2-[(2-chlorophenoxy)methyl]cyclopropyl]methanol
CID 112547364
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
3-[(2-phenylmethoxyphenoxy)methyl]azetidine
CID 164512457

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane (CID 83823125) is 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane is Clc1ccccc1OCC1C2CNCC21.
What is the InChIKey of 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is XTPAINBWIYKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO/c13-11-3-1-2-4-12(11)15-7-10-8-5-14-6-9(8)10/h1-4,8-10,14H,5-7H2.
What are the key properties of 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane?
6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 223.70 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenoxy)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 83823125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).