5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride

C13H16Cl3N — CID 66781316

IUPAC5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride
SMILESCNC1CCC2(c3ccc(Cl)c(Cl)c3)CC12.Cl
InChIInChI=1S/C13H15Cl2N.ClH/c1-16-12-4-5-13(7-9(12)13)8-2-3-10(14)11(15)6-8;/h2-3,6,9,12,16H,4-5,7H2,1H3;1H
InChIKeyNFDYGYNTHAQQJE-UHFFFAOYSA-N
MW292.64 g/mol
LogP4.05
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride

5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride (PubChem CID 66781316) has the molecular formula C13H16Cl3N and a molecular weight of 292.64 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride
PubChem CID66781316
Molecular FormulaC13H16Cl3N
Molecular Weight292.64 g/mol
Exact Mass291.03
IUPAC Name5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride
SMILESCNC1CCC2(c3ccc(Cl)c(Cl)c3)CC12.Cl
InChIInChI=1S/C13H15Cl2N.ClH/c1-16-12-4-5-13(7-9(12)13)8-2-3-10(14)11(15)6-8;/h2-3,6,9,12,16H,4-5,7H2,1H3;1H
InChIKeyNFDYGYNTHAQQJE-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.64
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride (CID 66781316) is 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride is CNC1CCC2(c3ccc(Cl)c(Cl)c3)CC12.Cl.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride?
The InChIKey is NFDYGYNTHAQQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N.ClH/c1-16-12-4-5-13(7-9(12)13)8-2-3-10(14)11(15)6-8;/h2-3,6,9,12,16H,4-5,7H2,1H3;1H.
What are the key properties of 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride?
5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride has a molecular weight of 292.64 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-methylbicyclo[3.1.0]hexan-2-amine;hydrochloride is sourced from PubChem (CID 66781316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).