(4-phenyloxan-4-yl)methanamine

C12H17NO — CID 6483779

IUPAC(4-phenyloxan-4-yl)methanamine
SMILESNCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyIPYDNTFWMDEOBW-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.69
Rot. Bonds2

About (4-phenyloxan-4-yl)methanamine

(4-phenyloxan-4-yl)methanamine (PubChem CID 6483779) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4-phenyloxan-4-yl)methanamine.

Molecular Properties

Compound Name(4-phenyloxan-4-yl)methanamine
PubChem CID6483779
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4-phenyloxan-4-yl)methanamine
SMILESNCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKeyIPYDNTFWMDEOBW-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-phenyloxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-4-yl)methanamine?
The IUPAC name of (4-phenyloxan-4-yl)methanamine (CID 6483779) is (4-phenyloxan-4-yl)methanamine.
What is the SMILES notation for (4-phenyloxan-4-yl)methanamine?
The canonical SMILES for (4-phenyloxan-4-yl)methanamine is NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of (4-phenyloxan-4-yl)methanamine?
The InChIKey is IPYDNTFWMDEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5H,6-10,13H2.
What are the key properties of (4-phenyloxan-4-yl)methanamine?
(4-phenyloxan-4-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-4-yl)methanamine is sourced from PubChem (CID 6483779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).