2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine

C17H25NO — CID 155484132

IUPAC2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine
SMILESCOc1ccc(CCC2=C(CCN)CCCC2)cc1
InChIInChI=1S/C17H25NO/c1-19-17-10-7-14(8-11-17)6-9-15-4-2-3-5-16(15)12-13-18/h7-8,10-11H,2-6,9,12-13,18H2,1H3
InChIKeyBRAJEESAAMBMII-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.85
Rot. Bonds6

About 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine

2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine (PubChem CID 155484132) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine
PubChem CID155484132
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine
SMILESCOc1ccc(CCC2=C(CCN)CCCC2)cc1
InChIInChI=1S/C17H25NO/c1-19-17-10-7-14(8-11-17)6-9-15-4-2-3-5-16(15)12-13-18/h7-8,10-11H,2-6,9,12-13,18H2,1H3
InChIKeyBRAJEESAAMBMII-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
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

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10-(4-methoxyphenyl)decan-1-amine
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ethanamine;1-methoxy-4-propylbenzene
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CID 19436013
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
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CID 65446100
N'-[2-(4-methoxyphenyl)ethyl]methanediamine
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CID 66217832

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine?
The IUPAC name of 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine (CID 155484132) is 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine?
The canonical SMILES for 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine is COc1ccc(CCC2=C(CCN)CCCC2)cc1.
What is the InChIKey of 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine?
The InChIKey is BRAJEESAAMBMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17-10-7-14(8-11-17)6-9-15-4-2-3-5-16(15)12-13-18/h7-8,10-11H,2-6,9,12-13,18H2,1H3.
What are the key properties of 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine?
2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine has a molecular weight of 259.39 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxyphenyl)ethyl]cyclohexen-1-yl]ethanamine is sourced from PubChem (CID 155484132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).