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

C18H27NO — CID 105035932

IUPACN-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1C2CCCC21
InChIInChI=1S/C18H27NO/c1-3-12-20-16-11-6-5-8-15(16)18(19-4-2)17-13-9-7-10-14(13)17/h5-6,8,11,13-14,17-19H,3-4,7,9-10,12H2,1-2H3
InChIKeyBKBJUXKJCADJDB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.17
Rot. Bonds7

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

N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 105035932) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
PubChem CID105035932
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1C2CCCC21
InChIInChI=1S/C18H27NO/c1-3-12-20-16-11-6-5-8-15(16)18(19-4-2)17-13-9-7-10-14(13)17/h5-6,8,11,13-14,17-19H,3-4,7,9-10,12H2,1-2H3
InChIKeyBKBJUXKJCADJDB-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methyl]propan-1-amine
CID 115792664
N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
CID 105035798
[(3-ethylcyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105232856
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[6-bicyclo[3.1.0]hexanyl(quinolin-8-yl)methyl]ethanamine
CID 105021311
N-ethyl-2-(oxolan-2-yl)-1-(2-propoxyphenyl)ethanamine
CID 104659878
N-[cyclobutyl-(2-ethoxyphenyl)methyl]propan-1-amine
CID 64987111
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
(3-methylcyclohexyl)-(2-propoxyphenyl)methanol
CID 104658787
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326

Frequently Asked Questions

What is the IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine (CID 105035932) is N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)C1C2CCCC21.
What is the InChIKey of N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is BKBJUXKJCADJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-12-20-16-11-6-5-8-15(16)18(19-4-2)17-13-9-7-10-14(13)17/h5-6,8,11,13-14,17-19H,3-4,7,9-10,12H2,1-2H3.
What are the key properties of N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
N-[6-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.17, 7 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-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105035932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).