1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane

C14H19Cl2N — CID 143403306

IUPAC1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2CC2C1.Clc1ccccc1Cl
InChIInChI=1S/C8H15N.C6H4Cl2/c1-2-3-9-5-7-4-8(7)6-9;7-5-3-1-2-4-6(5)8/h7-8H,2-6H2,1H3;1-4H
InChIKeyDCBCLOYHBWEFQG-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.34
Rot. Bonds2

About 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane

1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane (PubChem CID 143403306) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane
PubChem CID143403306
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane
SMILESCCCN1CC2CC2C1.Clc1ccccc1Cl
InChIInChI=1S/C8H15N.C6H4Cl2/c1-2-3-9-5-7-4-8(7)6-9;7-5-3-1-2-4-6(5)8/h7-8H,2-6H2,1H3;1-4H
InChIKeyDCBCLOYHBWEFQG-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-3-benzyl-3-azabicyclo[3.1.0]hexane
CID 98048046
5-phenyl-2-propyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol
CID 123782882
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272
3-[(4-ethylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 91139311
3-[2-(2-bromophenyl)ethyl]-3-azabicyclo[3.1.0]hexane
CID 83825905
3-(3-phenoxypropyl)-3-azabicyclo[3.1.0]hexane
CID 91429210
1-(2-chlorophenyl)sulfonyl-4-pentylpiperazine
CID 45369123
3-propyl-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane
CID 138608098
(1S,4S)-2-(2-chlorophenyl)-5-(1-propylpiperidin-4-yl)-2,5-diazabicyclo[2.2.1]heptan-3-one
CID 118754751
2-(1-propylazetidin-3-yl)-1H-benzimidazole
CID 141153066
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
2-(2-chlorophenyl)-1-(4-propylmorpholin-2-yl)ethanamine
CID 79658002

Frequently Asked Questions

What is the IUPAC name of 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane (CID 143403306) is 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane is CCCN1CC2CC2C1.Clc1ccccc1Cl.
What is the InChIKey of 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is DCBCLOYHBWEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C6H4Cl2/c1-2-3-9-5-7-4-8(7)6-9;7-5-3-1-2-4-6(5)8/h7-8H,2-6H2,1H3;1-4H.
What are the key properties of 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane?
1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 272.22 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichlorobenzene;3-propyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143403306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).