N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine

C17H25NO — CID 115853710

IUPACN-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1C2CCCC21
InChIInChI=1S/C17H25NO/c1-3-18-17(16-12-9-7-10-13(12)16)14-8-5-6-11-15(14)19-4-2/h5-6,8,11-13,16-18H,3-4,7,9-10H2,1-2H3
InChIKeyRIIULESAJRREBJ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds6

About N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine

N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine (PubChem CID 115853710) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
PubChem CID115853710
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1OCC)C1C2CCCC21
InChIInChI=1S/C17H25NO/c1-3-18-17(16-12-9-7-10-13(12)16)14-8-5-6-11-15(14)19-4-2/h5-6,8,11-13,16-18H,3-4,7,9-10H2,1-2H3
InChIKeyRIIULESAJRREBJ-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[(2-ethoxyphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80621805
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
N-[cyclopentyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 62802061
2-cyclobutyloxy-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 62114747
1-cyclopentyl-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 62801897
N-[(2-ethoxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107188648
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine (CID 115853710) is N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccccc1OCC)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine?
The InChIKey is RIIULESAJRREBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18-17(16-12-9-7-10-13(12)16)14-8-5-6-11-15(14)19-4-2/h5-6,8,11-13,16-18H,3-4,7,9-10H2,1-2H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine?
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 115853710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).