oxolan-2-yl(phenyl)methanamine

C11H15NO — CID 24688943

IUPACoxolan-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCCO1
InChIInChI=1S/C11H15NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2
InChIKeyUUDKCSVNTDZTBA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds2

About oxolan-2-yl(phenyl)methanamine

oxolan-2-yl(phenyl)methanamine (PubChem CID 24688943) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is oxolan-2-yl(phenyl)methanamine.

Molecular Properties

Compound Nameoxolan-2-yl(phenyl)methanamine
PubChem CID24688943
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Nameoxolan-2-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1CCCO1
InChIInChI=1S/C11H15NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2
InChIKeyUUDKCSVNTDZTBA-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-Phenyloxolan-2-yl)methanamine
CID 11571886
2-(Aminomethyl)-5-phenethyltetrahydrofuran
CID 11506691
2-(2''-Aminoethyl)-5-benzyltetrahydrofuran
CID 11672904
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
2-Amino-2-phenylethanol
CID 92466
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
(R)-beta-aminophenethyl alcohol
CID 2724025
2-Amino-2-phenylethan-1-ol
CID 134797
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
2-Methoxy-1-phenylethan-1-amine
CID 11105539
(4-Fluorophenyl)(oxolan-2-yl)methanamine
CID 24689362
2-Methoxy-3-phenylpropan-1-amine
CID 45074956

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl(phenyl)methanamine?
The IUPAC name of oxolan-2-yl(phenyl)methanamine (CID 24688943) is oxolan-2-yl(phenyl)methanamine.
What is the SMILES notation for oxolan-2-yl(phenyl)methanamine?
The canonical SMILES for oxolan-2-yl(phenyl)methanamine is NC(c1ccccc1)C1CCCO1.
What is the InChIKey of oxolan-2-yl(phenyl)methanamine?
The InChIKey is UUDKCSVNTDZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2.
What are the key properties of oxolan-2-yl(phenyl)methanamine?
oxolan-2-yl(phenyl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl(phenyl)methanamine is sourced from PubChem (CID 24688943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).