2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine

C17H25NO — CID 116661260

IUPAC2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)CC1=CCCCC1
InChIInChI=1S/C17H25NO/c1-2-12-19-17-11-7-6-10-15(17)16(18)13-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13,18H2,1H3
InChIKeyZQOPHKWQLJCPBP-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.37
Rot. Bonds6

About 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine

2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine (PubChem CID 116661260) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
PubChem CID116661260
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(N)CC1=CCCCC1
InChIInChI=1S/C17H25NO/c1-2-12-19-17-11-7-6-10-15(17)16(18)13-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13,18H2,1H3
InChIKeyZQOPHKWQLJCPBP-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-1-(2-propoxyphenyl)ethanamine
CID 104660329
1-(2-propoxyphenyl)-2-thiophen-2-ylethanamine
CID 104660039
1-(2-propoxyphenyl)nonan-1-amine
CID 105035941
3-phenyl-1-(2-propoxyphenyl)propan-1-amine
CID 104659951
2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
CID 116661300
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
3-(oxolan-2-yl)-1-(2-propoxyphenyl)propan-1-amine
CID 105035854
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine (CID 116661260) is 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(N)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine?
The InChIKey is ZQOPHKWQLJCPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-12-19-17-11-7-6-10-15(17)16(18)13-14-8-4-3-5-9-14/h6-8,10-11,16H,2-5,9,12-13,18H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine?
2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 116661260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).