2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine

C13H18N2O — CID 79269519

IUPAC2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
SMILESCc1ccc2nc(CNC(C)(C)C)oc2c1
InChIInChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)16-12(15-10)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyCLRLZBLNGAIGSU-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.02
Rot. Bonds2

About 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine

2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine (PubChem CID 79269519) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
PubChem CID79269519
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
SMILESCc1ccc2nc(CNC(C)(C)C)oc2c1
InChIInChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)16-12(15-10)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3
InChIKeyCLRLZBLNGAIGSU-UHFFFAOYSA-N
XLogP3.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
N-[(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)methyl]-2-methylpropan-2-amine
CID 82720453
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123
2,2-dimethyl-1-(6-methyl-1,3-benzoxazol-2-yl)propan-1-amine
CID 43470450
2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
CID 91756521
6-methyl-1,3-benzoxazol-2-amine
CID 45079000
2-chloro-6-methyl-1,3-benzoxazole
CID 10678666
2-methyl-N-[[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 63839477
5-[(tert-butylamino)methyl]-N-(3-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 106967981
1-N-(6-methyl-1,3-benzoxazol-2-yl)propane-1,2-diamine
CID 83832907

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine (CID 79269519) is 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine is Cc1ccc2nc(CNC(C)(C)C)oc2c1.
What is the InChIKey of 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
The InChIKey is CLRLZBLNGAIGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-5-6-10-11(7-9)16-12(15-10)8-14-13(2,3)4/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine?
2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 79269519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).