N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine

C13H18N2O — CID 115259635

IUPACN-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
SMILESCCN(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C13H18N2O/c1-4-15(3)8-7-11-5-6-13-12(9-11)14-10(2)16-13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXQQUMCVUKSPKTD-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine

N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine (PubChem CID 115259635) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
PubChem CID115259635
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
SMILESCCN(C)CCc1ccc2oc(C)nc2c1
InChIInChI=1S/C13H18N2O/c1-4-15(3)8-7-11-5-6-13-12(9-11)14-10(2)16-13/h5-6,9H,4,7-8H2,1-3H3
InChIKeyXQQUMCVUKSPKTD-UHFFFAOYSA-N
XLogP2.63
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
2-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 117042052
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
CID 143344954
N,N-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimidamide
CID 58408180
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
CID 115257069
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The IUPAC name of N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine (CID 115259635) is N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine.
What is the SMILES notation for N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The canonical SMILES for N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine is CCN(C)CCc1ccc2oc(C)nc2c1.
What is the InChIKey of N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
The InChIKey is XQQUMCVUKSPKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-15(3)8-7-11-5-6-13-12(9-11)14-10(2)16-13/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine?
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine is sourced from PubChem (CID 115259635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).