2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine

C11H14N2O2 — CID 105458924

IUPAC2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
SMILESCNCCc1onc2c(OC)cccc12
InChIInChI=1S/C11H14N2O2/c1-12-7-6-9-8-4-3-5-10(14-2)11(8)13-15-9/h3-5,12H,6-7H2,1-2H3
InChIKeyPJDKKLPKWCKFAI-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.60
Rot. Bonds4

About 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine

2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine (PubChem CID 105458924) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
PubChem CID105458924
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
SMILESCNCCc1onc2c(OC)cccc12
InChIInChI=1S/C11H14N2O2/c1-12-7-6-9-8-4-3-5-10(14-2)11(8)13-15-9/h3-5,12H,6-7H2,1-2H3
InChIKeyPJDKKLPKWCKFAI-UHFFFAOYSA-N
XLogP1.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-methoxy-2,1-benzoxazol-3-yl)propanoic acid
CID 105477082
3-bromo-7-methoxy-2,1-benzoxazole
CID 105485119
2-(8-methoxy-3-methylquinolin-2-yl)-N-methylethanamine
CID 82242809
2-(4-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117194582
2-(2-chloro-6-methoxyphenyl)-N-methylethanamine
CID 84669164
N-methyl-2-(5-methyl-2,1-benzoxazol-3-yl)ethanamine
CID 105444370
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
3-(2,3-dimethoxyphenyl)-N-methylpropan-1-amine
CID 54776109
1-(8-methoxy-4-methylquinazolin-2-yl)-N-methylmethanamine
CID 105471316
ethane;2-(5-methoxynaphthalen-2-yl)-N-methylethanamine
CID 144547592
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-(2-methoxy-6-propan-2-yloxyphenyl)-N-methylethanamine
CID 117320466

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine?
The IUPAC name of 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine (CID 105458924) is 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine is CNCCc1onc2c(OC)cccc12.
What is the InChIKey of 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine?
The InChIKey is PJDKKLPKWCKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-12-7-6-9-8-4-3-5-10(14-2)11(8)13-15-9/h3-5,12H,6-7H2,1-2H3.
What are the key properties of 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine?
2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine has a molecular weight of 206.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105458924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).