N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine

C11H14N2O2 — CID 114764916

IUPACN-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(OC)cccc2o1
InChIInChI=1S/C11H14N2O2/c1-3-12-7-10-13-11-8(14-2)5-4-6-9(11)15-10/h4-6,12H,3,7H2,1-2H3
InChIKeyYMAQDNVIRHNSME-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.95
Rot. Bonds4

About N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine

N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine (PubChem CID 114764916) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
PubChem CID114764916
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC NameN-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
SMILESCCNCc1nc2c(OC)cccc2o1
InChIInChI=1S/C11H14N2O2/c1-3-12-7-10-13-11-8(14-2)5-4-6-9(11)15-10/h4-6,12H,3,7H2,1-2H3
InChIKeyYMAQDNVIRHNSME-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

2-(chloromethyl)-4-methoxy-1,3-benzoxazole
CID 11820045
2-ethyl-2-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]butanoic acid
CID 114764820
4-(4-methoxy-1,3-benzoxazol-2-yl)butan-1-amine
CID 114764864
7-bromo-2-ethyl-4-methoxy-1,3-benzoxazole;2-ethyl-4-methoxy-1,3-benzoxazole
CID 159907783
methyl 4-methoxy-1,3-benzoxazole-2-carboxylate
CID 135000177
2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine
CID 46999902
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
3-(4-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 114764850
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
2-(4-methoxy-1,3-benzoxazol-2-yl)pentan-2-amine
CID 114764980
4-methoxy-2-(piperidin-4-yloxymethyl)-1,3-benzoxazole
CID 114764927
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine (CID 114764916) is N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine is CCNCc1nc2c(OC)cccc2o1.
What is the InChIKey of N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
The InChIKey is YMAQDNVIRHNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-12-7-10-13-11-8(14-2)5-4-6-9(11)15-10/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine?
N-[(4-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-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114764916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).