1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine

C15H19Cl2N — CID 115830720

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1C2CCCCC21
InChIInChI=1S/C15H19Cl2N/c16-12-6-3-7-13(17)11(12)8-14(18)15-9-4-1-2-5-10(9)15/h3,6-7,9-10,14-15H,1-2,4-5,8,18H2
InChIKeyIIHBQEODIXDRCQ-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.30
Rot. Bonds3

About 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 115830720) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID115830720
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)C1C2CCCCC21
InChIInChI=1S/C15H19Cl2N/c16-12-6-3-7-13(17)11(12)8-14(18)15-9-4-1-2-5-10(9)15/h3,6-7,9-10,14-15H,1-2,4-5,8,18H2
InChIKeyIIHBQEODIXDRCQ-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bicyclo[3.1.0]hexanyl)-2-(2,6-dichlorophenyl)ethanamine
CID 115830174
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
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
1-(7-bicyclo[4.1.0]heptanyl)-2-(furan-3-yl)ethanamine
CID 105030225
1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 64986831
2-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 65412417
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
2-(2,6-dichlorophenyl)-1-phenylethanamine
CID 55133818
3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine (CID 115830720) is 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine is NC(Cc1c(Cl)cccc1Cl)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is IIHBQEODIXDRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c16-12-6-3-7-13(17)11(12)8-14(18)15-9-4-1-2-5-10(9)15/h3,6-7,9-10,14-15H,1-2,4-5,8,18H2.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 284.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 115830720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).