2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine

C15H21NO — CID 116661110

IUPAC2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CC2=CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h5,7-10,15H,2-4,6,11,16H2,1H3
InChIKeyPAWPVAJHEHOATK-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.59
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine

2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine (PubChem CID 116661110) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
PubChem CID116661110
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine
SMILESCOc1ccc(C(N)CC2=CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h5,7-10,15H,2-4,6,11,16H2,1H3
InChIKeyPAWPVAJHEHOATK-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.59
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-(cyclopenten-1-yl)-1-phenylethanamine
CID 131037986
1-(3-chlorophenyl)-2-(cyclohexen-1-yl)ethanamine
CID 116661307
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
2-(cyclohexen-1-yl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116661191
2-(cyclohexen-1-yl)-1-(cycloocten-1-yl)ethanamine
CID 106654410
2-(cyclohexen-1-yl)-1-(5-propoxy-3-pyridinyl)ethanamine
CID 116661287
1-chloro-4-[2-(cyclohexen-1-yl)-1-methoxyethyl]benzene
CID 46176896
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 116661553
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
[2-(cyclohexen-1-yl)-1-(5-methoxy-3-pyridinyl)ethyl]hydrazine
CID 105270168
2-(cyclohexen-1-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 116661833
cyclohexen-1-ylmethyl N-(4-methoxyphenyl)carbamate
CID 16750613

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine (CID 116661110) is 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine is COc1ccc(C(N)CC2=CCCCC2)cc1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine?
The InChIKey is PAWPVAJHEHOATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h5,7-10,15H,2-4,6,11,16H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine?
2-(cyclohexen-1-yl)-1-(4-methoxyphenyl)ethanamine has a molecular weight of 231.34 g/mol, XLogP of 3.59, 4 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-(4-methoxyphenyl)ethanamine is sourced from PubChem (CID 116661110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).