N-methyl-1-(2-phenyloxan-3-yl)methanamine

C13H19NO — CID 47002630

IUPACN-methyl-1-(2-phenyloxan-3-yl)methanamine
SMILESCNCC1CCCOC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-10-12-8-5-9-15-13(12)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyZXKAIBMKDZEEGN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.37
Rot. Bonds3

About N-methyl-1-(2-phenyloxan-3-yl)methanamine

N-methyl-1-(2-phenyloxan-3-yl)methanamine (PubChem CID 47002630) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-methyl-1-(2-phenyloxan-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-phenyloxan-3-yl)methanamine
PubChem CID47002630
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-methyl-1-(2-phenyloxan-3-yl)methanamine
SMILESCNCC1CCCOC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-14-10-12-8-5-9-15-13(12)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3
InChIKeyZXKAIBMKDZEEGN-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenyloxan-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-phenyloxan-3-yl)methanamine (CID 47002630) is N-methyl-1-(2-phenyloxan-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-phenyloxan-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-phenyloxan-3-yl)methanamine is CNCC1CCCOC1c1ccccc1.
What is the InChIKey of N-methyl-1-(2-phenyloxan-3-yl)methanamine?
The InChIKey is ZXKAIBMKDZEEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14-10-12-8-5-9-15-13(12)11-6-3-2-4-7-11/h2-4,6-7,12-14H,5,8-10H2,1H3.
What are the key properties of N-methyl-1-(2-phenyloxan-3-yl)methanamine?
N-methyl-1-(2-phenyloxan-3-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenyloxan-3-yl)methanamine is sourced from PubChem (CID 47002630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).