N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine

C16H23NO2 — CID 60663419

IUPACN-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1CC=CCC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-3,5-6,9-10,14,17H,4,7-8,11-13H2,1H3
InChIKeyMHTUQSWPDXGLCE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds7

About N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine

N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine (PubChem CID 60663419) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
PubChem CID60663419
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine
SMILESCOc1ccccc1OCCNCC1CC=CCC1
InChIInChI=1S/C16H23NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-3,5-6,9-10,14,17H,4,7-8,11-13H2,1H3
InChIKeyMHTUQSWPDXGLCE-UHFFFAOYSA-N
XLogP3.02
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2-phenoxyethanamine
CID 55021286
N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 106123587
N-[2-(2-methoxyphenoxy)ethyl]cyclohex-3-ene-1-carboxamide
CID 43009468
N-(cyclohex-3-en-1-ylmethyl)-2-(4-methoxyphenyl)ethanamine
CID 4792508
2-(cyclohex-3-en-1-ylmethylamino)ethyl carbamate
CID 83211813
4-[[2-(2-ethoxyphenoxy)ethylamino]methyl]cyclohexan-1-ol
CID 106133459
N-(cyclohex-3-en-1-ylmethyl)-1-(2-methoxyphenyl)propan-2-amine
CID 60936319
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 81039512
2-(2-methoxyphenoxy)-N-methylethanamine;hydrochloride
CID 19749083
2-(2-methoxyphenoxy)-N-[[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]methyl]ethanamine;dihydrochloride
CID 19749602
5-[(cyclohex-3-en-1-ylmethylamino)methyl]-2-methoxybenzonitrile
CID 65340764
1-[2-(2-methoxyphenoxy)ethylamino]-2-methylpropan-2-ol
CID 63239759

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine (CID 60663419) is N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine is COc1ccccc1OCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine?
The InChIKey is MHTUQSWPDXGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-18-15-9-5-6-10-16(15)19-12-11-17-13-14-7-3-2-4-8-14/h2-3,5-6,9-10,14,17H,4,7-8,11-13H2,1H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine?
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine has a molecular weight of 261.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2-(2-methoxyphenoxy)ethanamine is sourced from PubChem (CID 60663419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).