1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine

C14H17Cl2N — CID 115830174

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1C2CCCC21
InChIInChI=1S/C14H17Cl2N/c15-11-5-2-6-12(16)10(11)7-13(17)14-8-3-1-4-9(8)14/h2,5-6,8-9,13-14H,1,3-4,7,17H2
InChIKeyIHINVGOYEOFEJK-UHFFFAOYSA-N
MW270.20 g/mol
LogP3.91
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 115830174) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID115830174
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1C2CCCC21
InChIInChI=1S/C14H17Cl2N/c15-11-5-2-6-12(16)10(11)7-13(17)14-8-3-1-4-9(8)14/h2,5-6,8-9,13-14H,1,3-4,7,17H2
InChIKeyIHINVGOYEOFEJK-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine
CID 115830720
2-(2,6-dichlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 65410709
2-(2,6-dichlorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 63418546
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
2-(2,6-dichlorophenyl)-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79908679
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
1-cyclopropyl-3-(2,6-dichlorophenyl)propane-1,2-diol
CID 103456938
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine (CID 115830174) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is IHINVGOYEOFEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N/c15-11-5-2-6-12(16)10(11)7-13(17)14-8-3-1-4-9(8)14/h2,5-6,8-9,13-14H,1,3-4,7,17H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 270.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 115830174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).