1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine

C17H25NO2 — CID 114620675

IUPAC1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(OC)c(OC2C=CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-3-14(18)11-13-9-10-16(19-2)17(12-13)20-15-7-5-4-6-8-15/h5,7,9-10,12,14-15H,3-4,6,8,11,18H2,1-2H3
InChIKeyQTZQYHYAAXMXMJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.46
Rot. Bonds6

About 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine

1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine (PubChem CID 114620675) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
PubChem CID114620675
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(OC)c(OC2C=CCCC2)c1
InChIInChI=1S/C17H25NO2/c1-3-14(18)11-13-9-10-16(19-2)17(12-13)20-15-7-5-4-6-8-15/h5,7,9-10,12,14-15H,3-4,6,8,11,18H2,1-2H3
InChIKeyQTZQYHYAAXMXMJ-UHFFFAOYSA-N
XLogP3.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.46
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

1-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114620662
1-(4-cyclohex-2-en-1-yloxy-3,5-difluorophenyl)butan-2-amine
CID 114620705
N-[[3-[(1R)-cyclohex-2-en-1-yl]oxy-4-methoxyphenyl]methyl]-2-(4-methylphenyl)ethanamine
CID 68855286
1-(4-cyclopropyl-3-methoxyphenyl)butan-2-amine
CID 118252120
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)propan-2-amine
CID 114620682
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
1-(2-cyclohex-2-en-1-yloxy-3-fluorophenyl)butan-2-amine
CID 114620716
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[4-(3,4-dimethoxyphenyl)phenyl]butan-2-amine
CID 170888861
1-(4-butoxy-3-methoxyphenyl)butan-2-amine
CID 54929034

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine?
The IUPAC name of 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine (CID 114620675) is 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine.
What is the SMILES notation for 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine?
The canonical SMILES for 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine is CCC(N)Cc1ccc(OC)c(OC2C=CCCC2)c1.
What is the InChIKey of 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine?
The InChIKey is QTZQYHYAAXMXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-14(18)11-13-9-10-16(19-2)17(12-13)20-15-7-5-4-6-8-15/h5,7,9-10,12,14-15H,3-4,6,8,11,18H2,1-2H3.
What are the key properties of 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine?
1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)butan-2-amine is sourced from PubChem (CID 114620675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).