2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline

C17H18N2O — CID 60837443

IUPAC2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
SMILESCc1ccc2nc(CCNc3ccccc3C)oc2c1
InChIInChI=1S/C17H18N2O/c1-12-7-8-15-16(11-12)20-17(19-15)9-10-18-14-6-4-3-5-13(14)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyPAJFEOGIIDDELR-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.10
Rot. Bonds4

About 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline

2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline (PubChem CID 60837443) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
PubChem CID60837443
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline
SMILESCc1ccc2nc(CCNc3ccccc3C)oc2c1
InChIInChI=1S/C17H18N2O/c1-12-7-8-15-16(11-12)20-17(19-15)9-10-18-14-6-4-3-5-13(14)2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyPAJFEOGIIDDELR-UHFFFAOYSA-N
XLogP4.10
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]-2-methylaniline
CID 81433660
6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 656381
N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropanamine
CID 60837123
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]-4-methylaniline
CID 102696512
2-methyl-N-[(6-methyl-1,3-benzoxazol-2-yl)methyl]propan-2-amine
CID 79269519
(6-methyl-1,3-benzoxazol-2-yl)methanol
CID 83383747
5-[2-(2-methylanilino)ethyl]-1,3,4-oxadiazol-2-amine
CID 67968193
2-[2-chloro-2-(2,5-dimethylphenyl)ethyl]-1,3-benzoxazole
CID 66461340
2-[5-[2-(2-methylanilino)ethyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104827059
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
2-[(2,6-dichlorophenyl)methyl]-6-methyl-1,3-benzoxazole
CID 91756521
2,4-dimethyl-N-[2-(2-methylphenyl)ethyl]aniline
CID 54796543

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline?
The IUPAC name of 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline (CID 60837443) is 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline is Cc1ccc2nc(CCNc3ccccc3C)oc2c1.
What is the InChIKey of 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline?
The InChIKey is PAJFEOGIIDDELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-8-15-16(11-12)20-17(19-15)9-10-18-14-6-4-3-5-13(14)2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline?
2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline has a molecular weight of 266.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(6-methyl-1,3-benzoxazol-2-yl)ethyl]aniline is sourced from PubChem (CID 60837443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).