cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine

C14H19NO — CID 62078181

IUPACcyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)C2=CCCC2)ccc1C
InChIInChI=1S/C14H19NO/c1-10-7-8-12(9-13(10)16-2)14(15)11-5-3-4-6-11/h5,7-9,14H,3-4,6,15H2,1-2H3
InChIKeyKBPQTOANGNKBCB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.11
Rot. Bonds3

About cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine

cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 62078181) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Namecyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
PubChem CID62078181
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Namecyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)C2=CCCC2)ccc1C
InChIInChI=1S/C14H19NO/c1-10-7-8-12(9-13(10)16-2)14(15)11-5-3-4-6-11/h5,7-9,14H,3-4,6,15H2,1-2H3
InChIKeyKBPQTOANGNKBCB-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.11
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

cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
CID 55034080
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(4-chloro-3-methylphenyl)-[(1E)-cycloocten-1-yl]methanamine
CID 106656508
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
2,3-dihydro-1,4-benzodioxin-6-yl-(3-methoxy-4-methylphenyl)methanamine
CID 43186694
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
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-methoxy-4-methylphenyl)methanamine?
The IUPAC name of cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine (CID 62078181) is cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)C2=CCCC2)ccc1C.
What is the InChIKey of cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is KBPQTOANGNKBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-8-12(9-13(10)16-2)14(15)11-5-3-4-6-11/h5,7-9,14H,3-4,6,15H2,1-2H3.
What are the key properties of cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine?
cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 62078181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).