3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine

C13H19NO — CID 116538709

IUPAC3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1ccccc1C1(C)CCC(N)C1
InChIInChI=1S/C13H19NO/c1-13(8-7-10(14)9-13)11-5-3-4-6-12(11)15-2/h3-6,10H,7-9,14H2,1-2H3
InChIKeyIXFPBFYBVLGTPS-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.46
Rot. Bonds2

About 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine

3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine (PubChem CID 116538709) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
PubChem CID116538709
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine
SMILESCOc1ccccc1C1(C)CCC(N)C1
InChIInChI=1S/C13H19NO/c1-13(8-7-10(14)9-13)11-5-3-4-6-12(11)15-2/h3-6,10H,7-9,14H2,1-2H3
InChIKeyIXFPBFYBVLGTPS-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine?
The IUPAC name of 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine (CID 116538709) is 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine is COc1ccccc1C1(C)CCC(N)C1.
What is the InChIKey of 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine?
The InChIKey is IXFPBFYBVLGTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-13(8-7-10(14)9-13)11-5-3-4-6-12(11)15-2/h3-6,10H,7-9,14H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine?
3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116538709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).