(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine

C9H14N2O — CID 82276910

IUPAC(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
SMILESCc1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C9H14N2O/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h7H,2-5,10H2,1H3
InChIKeyQYZKFVPEYGINLD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.05
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine

(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine (PubChem CID 82276910) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
PubChem CID82276910
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
SMILESCc1nc2c(o1)CC(CN)CC2
InChIInChI=1S/C9H14N2O/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h7H,2-5,10H2,1H3
InChIKeyQYZKFVPEYGINLD-UHFFFAOYSA-N
XLogP1.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine (CID 82276910) is (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine is Cc1nc2c(o1)CC(CN)CC2.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine?
The InChIKey is QYZKFVPEYGINLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h7H,2-5,10H2,1H3.
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine?
(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine has a molecular weight of 166.22 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine is sourced from PubChem (CID 82276910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).