1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine

C15H19Cl2N — CID 115862958

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1C2CCCC21
InChIInChI=1S/C15H19Cl2N/c1-18-14(15-11-3-2-4-12(11)15)8-9-7-10(16)5-6-13(9)17/h5-7,11-12,14-15,18H,2-4,8H2,1H3
InChIKeyFCOIXJNAPVZKLB-UHFFFAOYSA-N
MW284.23 g/mol
LogP4.17
Rot. Bonds4

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine

1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine (PubChem CID 115862958) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
PubChem CID115862958
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(Cl)ccc1Cl)C1C2CCCC21
InChIInChI=1S/C15H19Cl2N/c1-18-14(15-11-3-2-4-12(11)15)8-9-7-10(16)5-6-13(9)17/h5-7,11-12,14-15,18H,2-4,8H2,1H3
InChIKeyFCOIXJNAPVZKLB-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclobutyl-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 65321437
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 112655545
[1-(6-bicyclo[3.1.0]hexanyl)-2-(2,4-dichlorophenyl)ethyl]hydrazine
CID 105295110
2-(2,5-dichlorophenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 115862951
2-(2,5-dichlorophenyl)-N-methyl-1-(3-methylcyclopentyl)ethanamine
CID 65414577
[1-cyclohexyl-2-(2,5-dichlorophenyl)ethyl]hydrazine
CID 105201940
1-cyclohexylsulfanyl-3-(2,5-dichlorophenyl)-N-methylpropan-2-amine
CID 65321248
2-(2,5-dichlorophenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105151512
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 115818368
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-methylpropan-2-amine
CID 116723444
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine (CID 115862958) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine is CNC(Cc1cc(Cl)ccc1Cl)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
The InChIKey is FCOIXJNAPVZKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-18-14(15-11-3-2-4-12(11)15)8-9-7-10(16)5-6-13(9)17/h5-7,11-12,14-15,18H,2-4,8H2,1H3.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine?
1-(6-bicyclo[3.1.0]hexanyl)-2-(2,5-dichlorophenyl)-N-methylethanamine has a molecular weight of 284.23 g/mol, XLogP of 4.17, 4 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-(2,5-dichlorophenyl)-N-methylethanamine is sourced from PubChem (CID 115862958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).