CID 59409666

C11H14NO2 — CID 59409666

IUPAC—
SMILESCCOc1ccc(C[C@@H]([NH])C=O)cc1
InChIInChI=1S/C11H14NO2/c1-2-14-11-5-3-9(4-6-11)7-10(12)8-13/h3-6,8,10,12H,2,7H2,1H3/t10-/m1/s1
InChIKeySBDGGMOHNNTTGX-SNVBAGLBSA-N
MW192.24 g/mol
LogP1.48
Rot. Bonds5

About CID 59409666

CID 59409666 (PubChem CID 59409666) has the molecular formula C11H14NO2 and a molecular weight of 192.24 g/mol.

Molecular Properties

Compound NameCID 59409666
PubChem CID59409666
Molecular FormulaC11H14NO2
Molecular Weight192.24 g/mol
Exact Mass192.10
IUPAC Name—
SMILESCCOc1ccc(C[C@@H]([NH])C=O)cc1
InChIInChI=1S/C11H14NO2/c1-2-14-11-5-3-9(4-6-11)7-10(12)8-13/h3-6,8,10,12H,2,7H2,1H3/t10-/m1/s1
InChIKeySBDGGMOHNNTTGX-SNVBAGLBSA-N
XLogP1.48
TPSA50.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 91334560
3-(4-ethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
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1-(4-ethoxyphenyl)-N-methylbut-3-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of CID 59409666?
The IUPAC name of CID 59409666 (CID 59409666) is not available.
What is the SMILES notation for CID 59409666?
The canonical SMILES for CID 59409666 is CCOc1ccc(C[C@@H]([NH])C=O)cc1.
What is the InChIKey of CID 59409666?
The InChIKey is SBDGGMOHNNTTGX-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14NO2/c1-2-14-11-5-3-9(4-6-11)7-10(12)8-13/h3-6,8,10,12H,2,7H2,1H3/t10-/m1/s1.
What are the key properties of CID 59409666?
CID 59409666 has a molecular weight of 192.24 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59409666 is sourced from PubChem (CID 59409666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).