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

C13H18N2O2 — CID 102696419

IUPACN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
SMILESCOc1ccc2nc(CCNC(C)C)oc2c1
InChIInChI=1S/C13H18N2O2/c1-9(2)14-7-6-13-15-11-5-4-10(16-3)8-12(11)17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyHRGFWVCKBVWOFE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.38
Rot. Bonds5

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

N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine (PubChem CID 102696419) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
PubChem CID102696419
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
SMILESCOc1ccc2nc(CCNC(C)C)oc2c1
InChIInChI=1S/C13H18N2O2/c1-9(2)14-7-6-13-15-11-5-4-10(16-3)8-12(11)17-13/h4-5,8-9,14H,6-7H2,1-3H3
InChIKeyHRGFWVCKBVWOFE-UHFFFAOYSA-N
XLogP2.38
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 81432956
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
CID 102696814
N-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696947
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
CID 102696273
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)propyl]aniline
CID 102696845
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine (CID 102696419) is N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine is COc1ccc2nc(CCNC(C)C)oc2c1.
What is the InChIKey of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
The InChIKey is HRGFWVCKBVWOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)14-7-6-13-15-11-5-4-10(16-3)8-12(11)17-13/h4-5,8-9,14H,6-7H2,1-3H3.
What are the key properties of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine?
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine has a molecular weight of 234.30 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 102696419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).