N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine

C11H14N2O2 — CID 102696307

IUPACN-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2ccc(OC)cc2o1
InChIInChI=1S/C11H14N2O2/c1-3-12-7-11-13-9-5-4-8(14-2)6-10(9)15-11/h4-6,12H,3,7H2,1-2H3
InChIKeyHVBWFRBDVFPWSP-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.95
Rot. Bonds4

About N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine

N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine (PubChem CID 102696307) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
PubChem CID102696307
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2ccc(OC)cc2o1
InChIInChI=1S/C11H14N2O2/c1-3-12-7-11-13-9-5-4-8(14-2)6-10(9)15-11/h4-6,12H,3,7H2,1-2H3
InChIKeyHVBWFRBDVFPWSP-UHFFFAOYSA-N
XLogP1.95
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
CID 102696814
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
methyl 2-(ethylaminomethyl)-1,3-benzoxazole-5-carboxylate
CID 83949095
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
N-[[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methyl]ethanamine
CID 82357531
2-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]aniline
CID 102696273
N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 114764916
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine (CID 102696307) is N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine is CCNCc1nc2ccc(OC)cc2o1.
What is the InChIKey of N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The InChIKey is HVBWFRBDVFPWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-7-11-13-9-5-4-8(14-2)6-10(9)15-11/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 102696307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).