N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine

C18H25NO2 — CID 114619680

IUPACN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
SMILESCCOc1cccc(CNC2CC2)c1OC1C=CCCC1
InChIInChI=1S/C18H25NO2/c1-2-20-17-10-6-7-14(13-19-15-11-12-15)18(17)21-16-8-4-3-5-9-16/h4,6-8,10,15-16,19H,2-3,5,9,11-13H2,1H3
InChIKeyJFTUSRNXORUYAU-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.82
Rot. Bonds7

About N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine

N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine (PubChem CID 114619680) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
PubChem CID114619680
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine
SMILESCCOc1cccc(CNC2CC2)c1OC1C=CCCC1
InChIInChI=1S/C18H25NO2/c1-2-20-17-10-6-7-14(13-19-15-11-12-15)18(17)21-16-8-4-3-5-9-16/h4,6-8,10,15-16,19H,2-3,5,9,11-13H2,1H3
InChIKeyJFTUSRNXORUYAU-UHFFFAOYSA-N
XLogP3.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]propan-1-amine
CID 114619678
4-[(3-ethoxy-2-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 43220624
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[[2-(2-ethoxyphenyl)phenyl]methyl]cyclopropanamine
CID 62801536
N-[[3-ethoxy-2-(3-methylbut-3-enoxy)phenyl]methyl]cyclopropanamine
CID 114471447
1-(chloromethyl)-2-cyclopentyloxy-3-ethoxybenzene
CID 43174667
N-[(3-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619665
N-[(2-ethoxyphenyl)methyl]cyclohexanamine;hydrochloride
CID 6460007
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]propanamide
CID 43279005
N-[[3-ethoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclohexanamine
CID 17054688
2-[2-[(cyclopropylamino)methyl]-6-ethoxyphenoxy]-N-ethylacetamide
CID 43279015
N-[(2-bromo-5-cyclohex-2-en-1-yloxyphenyl)methyl]cyclopropanamine
CID 114619885

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine (CID 114619680) is N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine is CCOc1cccc(CNC2CC2)c1OC1C=CCCC1.
What is the InChIKey of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine?
The InChIKey is JFTUSRNXORUYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-20-17-10-6-7-14(13-19-15-11-12-15)18(17)21-16-8-4-3-5-9-16/h4,6-8,10,15-16,19H,2-3,5,9,11-13H2,1H3.
What are the key properties of N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine?
N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine has a molecular weight of 287.40 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-2-en-1-yloxy-3-ethoxyphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114619680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).