N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine

C15H20ClN — CID 115811418

IUPACN-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CC2CC2C1
InChIInChI=1S/C15H20ClN/c1-2-17-15(10-4-3-5-14(16)9-10)13-7-11-6-12(11)8-13/h3-5,9,11-13,15,17H,2,6-8H2,1H3
InChIKeyRDTXYGIHFXGMMV-UHFFFAOYSA-N
MW249.79 g/mol
LogP4.04
Rot. Bonds4

About N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine (PubChem CID 115811418) has the molecular formula C15H20ClN and a molecular weight of 249.79 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
PubChem CID115811418
Molecular FormulaC15H20ClN
Molecular Weight249.79 g/mol
Exact Mass249.13
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
SMILESCCNC(c1cccc(Cl)c1)C1CC2CC2C1
InChIInChI=1S/C15H20ClN/c1-2-17-15(10-4-3-5-14(16)9-10)13-7-11-6-12(11)8-13/h3-5,9,11-13,15,17H,2,6-8H2,1H3
InChIKeyRDTXYGIHFXGMMV-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
CID 105022208
N-[(3-chlorophenyl)-(2-phenylcyclopropyl)methyl]ethanamine
CID 116517342
N-[7-bicyclo[4.1.0]heptanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811298
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[3-bicyclo[3.1.0]hexanyl-(3-propylphenyl)methyl]propan-1-amine
CID 105050218
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112
N-[(3-chlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methyl]ethanamine
CID 65405344
N-[3-bicyclo[3.1.0]hexanyl(pyrimidin-5-yl)methyl]ethanamine
CID 115827057
N-[3-bicyclo[3.1.0]hexanyl-(2-chloro-4,5-dimethylphenyl)methyl]ethanamine
CID 115484050
N-[3-bicyclo[3.1.0]hexanyl-(4-cyclobutylphenyl)methyl]ethanamine
CID 105044882

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine (CID 115811418) is N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine is CCNC(c1cccc(Cl)c1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine?
The InChIKey is RDTXYGIHFXGMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-2-17-15(10-4-3-5-14(16)9-10)13-7-11-6-12(11)8-13/h3-5,9,11-13,15,17H,2,6-8H2,1H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine has a molecular weight of 249.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine is sourced from PubChem (CID 115811418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).