2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine

C17H18N2O — CID 82304478

IUPAC2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3cc(CCN)ccc3o2)cc1C
InChIInChI=1S/C17H18N2O/c1-11-3-5-14(9-12(11)2)17-19-15-10-13(7-8-18)4-6-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeySJFUKRVAEBAVNX-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.61
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine

2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine (PubChem CID 82304478) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
PubChem CID82304478
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3cc(CCN)ccc3o2)cc1C
InChIInChI=1S/C17H18N2O/c1-11-3-5-14(9-12(11)2)17-19-15-10-13(7-8-18)4-6-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3
InChIKeySJFUKRVAEBAVNX-UHFFFAOYSA-N
XLogP3.61
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
2-(3,4-dimethylphenyl)-5-propan-2-yl-1,3-benzoxazole
CID 17273976
2-(3,4-dimethylphenyl)-5-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]sulfonyl]-1,3-benzoxazole
CID 17297013
2-(3,4-dimethylphenyl)-1,3-benzoxazole-5-carbaldehyde
CID 82159693
3-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propan-1-amine
CID 82298467
4-[5-[[2-(4-aminophenyl)-1,3-benzoxazol-5-yl]methyl]-1,3-benzoxazol-2-yl]aniline
CID 1160387
2-(3,4-dimethylphenyl)-6-methyl-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 20792473
5-hexyl-2-(4-octylphenyl)-1,3-benzoxazole
CID 19021147
2-(4-ethylphenyl)-5,6-dimethyl-1,3-benzoxazole
CID 95910929
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine (CID 82304478) is 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine is Cc1ccc(-c2nc3cc(CCN)ccc3o2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine?
The InChIKey is SJFUKRVAEBAVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-3-5-14(9-12(11)2)17-19-15-10-13(7-8-18)4-6-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3.
What are the key properties of 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine?
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine has a molecular weight of 266.34 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine is sourced from PubChem (CID 82304478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).