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

C17H25NO — CID 105022208

IUPACN-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)C1CC2CC2C1
InChIInChI=1S/C17H25NO/c1-3-18-17(15-9-13-8-14(13)10-15)12-6-5-7-16(11-12)19-4-2/h5-7,11,13-15,17-18H,3-4,8-10H2,1-2H3
InChIKeyIELAUYYOUVNRHG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.78
Rot. Bonds6

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

N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine (PubChem CID 105022208) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
PubChem CID105022208
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)C1CC2CC2C1
InChIInChI=1S/C17H25NO/c1-3-18-17(15-9-13-8-14(13)10-15)12-6-5-7-16(11-12)19-4-2/h5-7,11,13-15,17-18H,3-4,8-10H2,1-2H3
InChIKeyIELAUYYOUVNRHG-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

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Related Compounds

N-[3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methyl]ethanamine
CID 115811418
N-[3-bicyclo[3.1.0]hexanyl-[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115850632
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098
N-[(3-ethoxyphenyl)-(2-methyloxolan-3-yl)methyl]ethanamine
CID 105022346
N-[3-bicyclo[3.1.0]hexanyl(pyridin-3-yl)methyl]ethanamine
CID 115799190
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(3-ethoxyphenyl)-(oxan-4-yl)methyl]propan-1-amine
CID 63935052
[cyclopentyl-(3-ethoxyphenyl)methyl]hydrazine
CID 105191906
2-ethoxy-1-(3-ethoxyphenyl)-N-ethylethanamine
CID 79574698
N-[(3-chlorophenyl)-(3,5-dimethylcyclohexyl)methyl]ethanamine
CID 64730507
1-(3-ethoxyphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 63935050

Frequently Asked Questions

What is the IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine (CID 105022208) is N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OCC)c1)C1CC2CC2C1.
What is the InChIKey of N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine?
The InChIKey is IELAUYYOUVNRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-18-17(15-9-13-8-14(13)10-15)12-6-5-7-16(11-12)19-4-2/h5-7,11,13-15,17-18H,3-4,8-10H2,1-2H3.
What are the key properties of N-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine?
N-[3-bicyclo[3.1.0]hexanyl-(3-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-[3-bicyclo[3.1.0]hexanyl-(3-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 105022208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).