(2-benzyloxolan-3-yl)methanamine

C12H17NO — CID 79368410

IUPAC(2-benzyloxolan-3-yl)methanamine
SMILESNCC1CCOC1Cc1ccccc1
InChIInChI=1S/C12H17NO/c13-9-11-6-7-14-12(11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyPNPCBJBRNFZZJO-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.59
Rot. Bonds3

About (2-benzyloxolan-3-yl)methanamine

(2-benzyloxolan-3-yl)methanamine (PubChem CID 79368410) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-benzyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-benzyloxolan-3-yl)methanamine
PubChem CID79368410
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-benzyloxolan-3-yl)methanamine
SMILESNCC1CCOC1Cc1ccccc1
InChIInChI=1S/C12H17NO/c13-9-11-6-7-14-12(11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyPNPCBJBRNFZZJO-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-benzyloxolan-3-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 (2-benzyloxolan-3-yl)methanamine?
The IUPAC name of (2-benzyloxolan-3-yl)methanamine (CID 79368410) is (2-benzyloxolan-3-yl)methanamine.
What is the SMILES notation for (2-benzyloxolan-3-yl)methanamine?
The canonical SMILES for (2-benzyloxolan-3-yl)methanamine is NCC1CCOC1Cc1ccccc1.
What is the InChIKey of (2-benzyloxolan-3-yl)methanamine?
The InChIKey is PNPCBJBRNFZZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-9-11-6-7-14-12(11)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of (2-benzyloxolan-3-yl)methanamine?
(2-benzyloxolan-3-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyloxolan-3-yl)methanamine is sourced from PubChem (CID 79368410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).