N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine

C12H16N2O — CID 82230268

IUPACN-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
SMILESCNCc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C12H16N2O/c1-8(2)9-4-5-11-10(6-9)14-12(15-11)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyDLIYWWNHOASBAT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.67
Rot. Bonds3

About N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine

N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82230268) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82230268
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
SMILESCNCc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C12H16N2O/c1-8(2)9-4-5-11-10(6-9)14-12(15-11)7-13-3/h4-6,8,13H,7H2,1-3H3
InChIKeyDLIYWWNHOASBAT-UHFFFAOYSA-N
XLogP2.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine (CID 82230268) is N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine is CNCc1nc2cc(C(C)C)ccc2o1.
What is the InChIKey of N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is DLIYWWNHOASBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)9-4-5-11-10(6-9)14-12(15-11)7-13-3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine?
N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 204.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-propan-2-yl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82230268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).