cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine

C14H19NO2 — CID 55034080

IUPACcyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2=CCCC2)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-12-8-7-11(9-13(12)17-2)14(15)10-5-3-4-6-10/h5,7-9,14H,3-4,6,15H2,1-2H3
InChIKeyWTEAWAKZTPGXJG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.81
Rot. Bonds4

About cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine

cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine (PubChem CID 55034080) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
PubChem CID55034080
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namecyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)C2=CCCC2)cc1OC
InChIInChI=1S/C14H19NO2/c1-16-12-8-7-11(9-13(12)17-2)14(15)10-5-3-4-6-10/h5,7-9,14H,3-4,6,15H2,1-2H3
InChIKeyWTEAWAKZTPGXJG-UHFFFAOYSA-N
XLogP2.81
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.81
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

cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
CID 62078181
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
(5-chloro-2-methoxyphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656196
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
4-(cyclopenten-1-yl)-1,2-dimethoxybenzene
CID 71373642
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
(1S)-1-(3,4-dimethoxyphenyl)-2,2-difluoroethanamine
CID 28973213
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine (CID 55034080) is cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)C2=CCCC2)cc1OC.
What is the InChIKey of cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is WTEAWAKZTPGXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-16-12-8-7-11(9-13(12)17-2)14(15)10-5-3-4-6-10/h5,7-9,14H,3-4,6,15H2,1-2H3.
What are the key properties of cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine?
cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 55034080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).