N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine

C18H27NO — CID 105035798

IUPACN-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1CC2CC2C1
InChIInChI=1S/C18H27NO/c1-3-9-20-17-8-6-5-7-16(17)18(19-4-2)15-11-13-10-14(13)12-15/h5-8,13-15,18-19H,3-4,9-12H2,1-2H3
InChIKeyXPGAKAMOQMLGGN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.17
Rot. Bonds7

About N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine

N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine (PubChem CID 105035798) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
PubChem CID105035798
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine
SMILESCCCOc1ccccc1C(NCC)C1CC2CC2C1
InChIInChI=1S/C18H27NO/c1-3-9-20-17-8-6-5-7-16(17)18(19-4-2)15-11-13-10-14(13)12-15/h5-8,13-15,18-19H,3-4,9-12H2,1-2H3
InChIKeyXPGAKAMOQMLGGN-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-propoxyphenyl)methyl]ethanamine
CID 105035932
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[[2-(2-methoxyethoxy)phenyl]-(2-methylcyclopropyl)methyl]ethanamine
CID 104660326
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[(3-bromothiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035892
N-[phenyl-(2-propoxyphenyl)methyl]ethanamine
CID 104659888
N-[(3,5-dimethylcyclohexyl)-(2-methylphenyl)methyl]ethanamine
CID 64731101
N-[6-bicyclo[3.1.0]hexanyl-(2-ethoxyphenyl)methyl]ethanamine
CID 115853710
N-[(1-methylcyclopropyl)-(2-propoxyphenyl)methyl]ethanamine
CID 104660529
[(3-ethylcyclohexyl)-(2-propoxyphenyl)methyl]hydrazine
CID 105232856
N-ethyl-2-propoxy-1-(2-propoxyphenyl)ethanamine
CID 104660013
[2-bicyclo[2.2.1]heptanyl-(2-propoxyphenyl)methyl]hydrazine
CID 105266649

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine (CID 105035798) is N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine is CCCOc1ccccc1C(NCC)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
The InChIKey is XPGAKAMOQMLGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-9-20-17-8-6-5-7-16(17)18(19-4-2)15-11-13-10-14(13)12-15/h5-8,13-15,18-19H,3-4,9-12H2,1-2H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine?
N-[3-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-[3-bicyclo[3.1.0]hexanyl-(2-propoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).