2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine

C19H27NO — CID 54847740

IUPAC2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)COc1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C19H27NO/c1-16(2)15-21-19-11-7-6-10-18(19)14-20-13-12-17-8-4-3-5-9-17/h6-8,10-11,20H,1,3-5,9,12-15H2,2H3
InChIKeyGTHSVUGYOZUQIH-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.62
Rot. Bonds8

About 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine

2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine (PubChem CID 54847740) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
PubChem CID54847740
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
SMILESC=C(C)COc1ccccc1CNCCC1=CCCCC1
InChIInChI=1S/C19H27NO/c1-16(2)15-21-19-11-7-6-10-18(19)14-20-13-12-17-8-4-3-5-9-17/h6-8,10-11,20H,1,3-5,9,12-15H2,2H3
InChIKeyGTHSVUGYOZUQIH-UHFFFAOYSA-N
XLogP4.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 54849925
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210027
2-(cyclohexen-1-yl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 17206520
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
N-[2-[[2-(cyclopenten-1-yl)ethylamino]methyl]phenyl]acetamide
CID 103845316
N',N'-diethyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethane-1,2-diamine
CID 54849249
N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 54850060
2-(1H-imidazol-5-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine
CID 46991408
2-(cyclohexen-1-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 17210199
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzonitrile
CID 60691473
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77029871

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine (CID 54847740) is 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine is C=C(C)COc1ccccc1CNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
The InChIKey is GTHSVUGYOZUQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-16(2)15-21-19-11-7-6-10-18(19)14-20-13-12-17-8-4-3-5-9-17/h6-8,10-11,20H,1,3-5,9,12-15H2,2H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 54847740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).