N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline

C17H18N2O2 — CID 102696512

IUPACN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
SMILESCOc1ccc2nc(CCNc3ccc(C)cc3)oc2c1
InChIInChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)18-10-9-17-19-15-8-7-14(20-2)11-16(15)21-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUDSVTTXVIHJQPX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline

N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline (PubChem CID 102696512) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
PubChem CID102696512
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
SMILESCOc1ccc2nc(CCNc3ccc(C)cc3)oc2c1
InChIInChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)18-10-9-17-19-15-8-7-14(20-2)11-16(15)21-17/h3-8,11,18H,9-10H2,1-2H3
InChIKeyUDSVTTXVIHJQPX-UHFFFAOYSA-N
XLogP3.80
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696947
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)propyl]aniline
CID 102696845
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
4-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]aniline
CID 102696265
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
CID 60837443
N-ethyl-2-(5-methoxy-1,3-benzoxazol-2-yl)ethanamine
CID 102696814
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
N-[2-(1,3-benzoxazol-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110711871
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline?
The IUPAC name of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline (CID 102696512) is N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline.
What is the SMILES notation for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline?
The canonical SMILES for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline is COc1ccc2nc(CCNc3ccc(C)cc3)oc2c1.
What is the InChIKey of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline?
The InChIKey is UDSVTTXVIHJQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12-3-5-13(6-4-12)18-10-9-17-19-15-8-7-14(20-2)11-16(15)21-17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline?
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline has a molecular weight of 282.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline is sourced from PubChem (CID 102696512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).