(2-benzyloxolan-2-yl)methanamine

C12H17NO — CID 84772073

IUPAC(2-benzyloxolan-2-yl)methanamine
SMILESNCC1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H17NO/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2
InChIKeyAMEXVACQOQTEAD-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.74
Rot. Bonds3

About (2-benzyloxolan-2-yl)methanamine

(2-benzyloxolan-2-yl)methanamine (PubChem CID 84772073) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2-benzyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name(2-benzyloxolan-2-yl)methanamine
PubChem CID84772073
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2-benzyloxolan-2-yl)methanamine
SMILESNCC1(Cc2ccccc2)CCCO1
InChIInChI=1S/C12H17NO/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2
InChIKeyAMEXVACQOQTEAD-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-benzyloxolan-2-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

Related Compounds

(2-benzyloxolan-2-yl)methanol
CID 126987678
2-benzyloxolane-2-carboxylic acid
CID 18467992
(1-benzylcycloheptyl)methanamine
CID 65391702
(1-benzylcyclooctyl)methanamine
CID 80602159
2-[(2R)-2-benzyloxiran-2-yl]ethanamine
CID 151856778
2-benzyloxane-2-carboxylic acid
CID 12030266
(2-benzyloxan-2-yl)silane
CID 123186626
1,4-dioxaspiro[4.5]decane;phenylmethanamine
CID 143618966
[(2R)-2-benzyloxiran-2-yl]methanol
CID 15072879
(1-benzylcyclopropyl)methanamine;hydrochloride
CID 86277151
2-benzyloxane-2-carbonitrile
CID 12030268
(2-benzyl-4-cyclohexylmorpholin-2-yl)methanol
CID 155992732

Frequently Asked Questions

What is the IUPAC name of (2-benzyloxolan-2-yl)methanamine?
The IUPAC name of (2-benzyloxolan-2-yl)methanamine (CID 84772073) is (2-benzyloxolan-2-yl)methanamine.
What is the SMILES notation for (2-benzyloxolan-2-yl)methanamine?
The canonical SMILES for (2-benzyloxolan-2-yl)methanamine is NCC1(Cc2ccccc2)CCCO1.
What is the InChIKey of (2-benzyloxolan-2-yl)methanamine?
The InChIKey is AMEXVACQOQTEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-10-12(7-4-8-14-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2.
What are the key properties of (2-benzyloxolan-2-yl)methanamine?
(2-benzyloxolan-2-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyloxolan-2-yl)methanamine is sourced from PubChem (CID 84772073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).