CID 59418392

C12H15NO — CID 59418392

IUPAC—
SMILES[CH]c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C12H15NO/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h1-4,9,11,13H,5-8H2
InChIKeyDXBDNLSZVMAKNK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.88
Rot. Bonds2

About CID 59418392

CID 59418392 (PubChem CID 59418392) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol.

Molecular Properties

Compound NameCID 59418392
PubChem CID59418392
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name—
SMILES[CH]c1cccc(OC2CCNCC2)c1
InChIInChI=1S/C12H15NO/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h1-4,9,11,13H,5-8H2
InChIKeyDXBDNLSZVMAKNK-UHFFFAOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-pyrrolidin-3-yloxyphenol
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CID 117209751
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CID 18337170
(3R)-3-(3-methylphenoxy)pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of CID 59418392?
The IUPAC name of CID 59418392 (CID 59418392) is not available.
What is the SMILES notation for CID 59418392?
The canonical SMILES for CID 59418392 is [CH]c1cccc(OC2CCNCC2)c1.
What is the InChIKey of CID 59418392?
The InChIKey is DXBDNLSZVMAKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10-3-2-4-12(9-10)14-11-5-7-13-8-6-11/h1-4,9,11,13H,5-8H2.
What are the key properties of CID 59418392?
CID 59418392 has a molecular weight of 189.26 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59418392 is sourced from PubChem (CID 59418392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).