2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine

C16H17N3O2 — CID 79999831

IUPAC2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine
SMILESCOc1ccccc1N(C)Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C16H17N3O2/c1-19(13-5-3-4-6-14(13)20-2)10-16-18-12-8-7-11(17)9-15(12)21-16/h3-9H,10,17H2,1-2H3
InChIKeyNTMIHTZUDNFKHI-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.06
Rot. Bonds4

About 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine

2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine (PubChem CID 79999831) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine
PubChem CID79999831
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine
SMILESCOc1ccccc1N(C)Cc1nc2ccc(N)cc2o1
InChIInChI=1S/C16H17N3O2/c1-19(13-5-3-4-6-14(13)20-2)10-16-18-12-8-7-11(17)9-15(12)21-16/h3-9H,10,17H2,1-2H3
InChIKeyNTMIHTZUDNFKHI-UHFFFAOYSA-N
XLogP3.06
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 28932063
2-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996144
2-[[cyclopentyl(methyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995589
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995079
2-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994683
2-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79995091
2-[(2-methoxyphenoxy)methyl]-1,3-benzoxazol-5-amine
CID 39111936
2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79996148
2-benzyl-1,3-benzoxazol-6-amine
CID 39112088
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
2-[[ethyl(2-methylpropyl)amino]methyl]-1,3-benzoxazol-6-amine
CID 79994769
2-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-benzoxazol-6-amine
CID 79994684

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine?
The IUPAC name of 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine (CID 79999831) is 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine is COc1ccccc1N(C)Cc1nc2ccc(N)cc2o1.
What is the InChIKey of 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine?
The InChIKey is NTMIHTZUDNFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(13-5-3-4-6-14(13)20-2)10-16-18-12-8-7-11(17)9-15(12)21-16/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine?
2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine has a molecular weight of 283.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-N-methylanilino)methyl]-1,3-benzoxazol-6-amine is sourced from PubChem (CID 79999831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).