3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine

C11H14N2O — CID 83877468

IUPAC3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
SMILESCc1noc2c(CCCN)cccc12
InChIInChI=1S/C11H14N2O/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7,12H2,1H3
InChIKeyJWMKAGFWWOVCAZ-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.03
Rot. Bonds3

About 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine (PubChem CID 83877468) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
PubChem CID83877468
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine
SMILESCc1noc2c(CCCN)cccc12
InChIInChI=1S/C11H14N2O/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7,12H2,1H3
InChIKeyJWMKAGFWWOVCAZ-UHFFFAOYSA-N
XLogP2.03
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-ol
CID 117282266
1-[(3-methyl-1,2-benzoxazol-7-yl)methyl]cyclopropan-1-ol
CID 117291575
(3,7-dimethyl-1,2-benzoxazol-6-yl)methanamine
CID 117110114
3-(2,8-dimethylquinolin-4-yl)propan-1-amine
CID 82576634
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
3-(2H-1,3-benzoxazol-2-id-7-yl)propan-1-amine;yttrium
CID 59115940
3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 55266988
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
ethyl 2-(3-methyl-1,2-benzoxazol-7-yl)-2-oxoacetate
CID 117337558
4-(3-methyl-1,2-benzoxazol-6-yl)butan-1-amine
CID 117292848
3-(1-ethyl-7-methylindol-3-yl)propan-1-amine
CID 117197455
7-isocyanato-3-methyl-1,2-benzoxazole
CID 83914679

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine?
The IUPAC name of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine (CID 83877468) is 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine is Cc1noc2c(CCCN)cccc12.
What is the InChIKey of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine?
The InChIKey is JWMKAGFWWOVCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8-10-6-2-4-9(5-3-7-12)11(10)14-13-8/h2,4,6H,3,5,7,12H2,1H3.
What are the key properties of 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine?
3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine has a molecular weight of 190.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-benzoxazol-7-yl)propan-1-amine is sourced from PubChem (CID 83877468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).