3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine

C13H18N2O — CID 82493621

IUPAC3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
SMILESCc1nc2ccc(C(N)CC(C)C)cc2o1
InChIInChI=1S/C13H18N2O/c1-8(2)6-11(14)10-4-5-12-13(7-10)16-9(3)15-12/h4-5,7-8,11H,6,14H2,1-3H3
InChIKeyGQURDLBXUYOZKN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.18
Rot. Bonds3

About 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine

3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine (PubChem CID 82493621) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
PubChem CID82493621
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
SMILESCc1nc2ccc(C(N)CC(C)C)cc2o1
InChIInChI=1S/C13H18N2O/c1-8(2)6-11(14)10-4-5-12-13(7-10)16-9(3)15-12/h4-5,7-8,11H,6,14H2,1-3H3
InChIKeyGQURDLBXUYOZKN-UHFFFAOYSA-N
XLogP3.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)ethane-1,2-diamine
CID 116934938
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116933909
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
3-methyl-1-(2-methyl-1,3-benzoxazol-5-yl)butane-1,4-diamine
CID 116934225
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937388
2-ethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116945511
2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
1-(6-fluoro-1,3-benzoxazol-2-yl)-3-methylbutan-1-amine
CID 63676371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine?
The IUPAC name of 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine (CID 82493621) is 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine?
The canonical SMILES for 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine is Cc1nc2ccc(C(N)CC(C)C)cc2o1.
What is the InChIKey of 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine?
The InChIKey is GQURDLBXUYOZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8(2)6-11(14)10-4-5-12-13(7-10)16-9(3)15-12/h4-5,7-8,11H,6,14H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine?
3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine has a molecular weight of 218.30 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine is sourced from PubChem (CID 82493621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).