1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine

C17H25N — CID 115802996

IUPAC1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CC3CC3C2)cc1
InChIInChI=1S/C17H25N/c1-3-12-4-6-13(7-5-12)8-17(18-2)16-10-14-9-15(14)11-16/h4-7,14-18H,3,8-11H2,1-2H3
InChIKeyFRJYDEBDIIBJKK-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.43
Rot. Bonds5

About 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine

1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine (PubChem CID 115802996) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine
PubChem CID115802996
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)C2CC3CC3C2)cc1
InChIInChI=1S/C17H25N/c1-3-12-4-6-13(7-5-12)8-17(18-2)16-10-14-9-15(14)11-16/h4-7,14-18H,3,8-11H2,1-2H3
InChIKeyFRJYDEBDIIBJKK-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-N-methylethanamine
CID 115336770
1-(3,5-dimethylcyclohexyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 64730116
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864263
2-(3,4-difluorophenyl)-1-(3,5-dimethylcyclohexyl)-N-methylethanamine
CID 104988926
[1-(3-bicyclo[3.1.0]hexanyl)-2-phenylethyl]hydrazine
CID 105283094
1-(3,5-dimethylcyclohexyl)-N-methyl-2-pyridin-4-ylethanamine
CID 64731111
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
[1-(2,3-dihydro-1H-inden-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105234081
N-ethyl-2-(4-ethylphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 65422577
1-cycloheptyl-2-(4-fluorophenyl)-N-methylethanamine
CID 55091488
[1-(3-bicyclo[3.1.0]hexanyl)-2-[4-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105299679
1-cyclohexyl-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63413394

Frequently Asked Questions

What is the IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine (CID 115802996) is 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine is CCc1ccc(CC(NC)C2CC3CC3C2)cc1.
What is the InChIKey of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine?
The InChIKey is FRJYDEBDIIBJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-3-12-4-6-13(7-5-12)8-17(18-2)16-10-14-9-15(14)11-16/h4-7,14-18H,3,8-11H2,1-2H3.
What are the key properties of 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine?
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine has a molecular weight of 243.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bicyclo[3.1.0]hexanyl)-2-(4-ethylphenyl)-N-methylethanamine is sourced from PubChem (CID 115802996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).