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

C12H16N2O2 — CID 102696814

IUPACN-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
SMILESCCNCCc1nc2cc(OC)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-3-13-7-6-12-14-10-8-9(15-2)4-5-11(10)16-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyKFOIKEDWPRRDPR-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.99
Rot. Bonds5

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

N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine (PubChem CID 102696814) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
PubChem CID102696814
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
SMILESCCNCCc1nc2cc(OC)ccc2o1
InChIInChI=1S/C12H16N2O2/c1-3-13-7-6-12-14-10-8-9(15-2)4-5-11(10)16-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyKFOIKEDWPRRDPR-UHFFFAOYSA-N
XLogP1.99
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696947
2-hexyl-5-methoxy-1,3-benzoxazole
CID 11276348
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)propyl]aniline
CID 102696845
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
2-(isocyanomethyl)-5-methoxy-1,3-benzoxazole
CID 83483455
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
CID 102696662
3-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4,4-dimethylpentan-1-amine
CID 102697004
(2S)-1-ethylsulfanyl-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 125435913
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-(2-ethyl-4-methoxyphenyl)-5-methoxy-1,3-benzoxazole
CID 69363330

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine (CID 102696814) is N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine is CCNCCc1nc2cc(OC)ccc2o1.
What is the InChIKey of N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is KFOIKEDWPRRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-13-7-6-12-14-10-8-9(15-2)4-5-11(10)16-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine?
N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 220.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 102696814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).