2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine

C21H27N3O3 — CID 46999902

IUPAC2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1cccc(CNCc2nc3c(C)cccc3o2)c1OCCN(C)C
InChIInChI=1S/C21H27N3O3/c1-15-7-5-9-17-20(15)23-19(27-17)14-22-13-16-8-6-10-18(25-4)21(16)26-12-11-24(2)3/h5-10,22H,11-14H2,1-4H3
InChIKeyMURKLPOQDHZUNM-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.38
Rot. Bonds9

About 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine

2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine (PubChem CID 46999902) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine
PubChem CID46999902
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine
SMILESCOc1cccc(CNCc2nc3c(C)cccc3o2)c1OCCN(C)C
InChIInChI=1S/C21H27N3O3/c1-15-7-5-9-17-20(15)23-19(27-17)14-22-13-16-8-6-10-18(25-4)21(16)26-12-11-24(2)3/h5-10,22H,11-14H2,1-4H3
InChIKeyMURKLPOQDHZUNM-UHFFFAOYSA-N
XLogP3.38
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine with MolForge

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Related Compounds

2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
N-[(4-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 114764916
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
1-[3-methoxy-2-(2-phenylethoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803600
1-(3-methoxy-2-octoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 54803574
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
CID 20984632
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807813
1-(2,3-dimethoxyphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305768
2-[2-methoxy-6-[(4-methoxypiperidin-1-yl)methyl]phenoxy]-N,N-dimethylethanamine
CID 77097842
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]ethanol
CID 43471970

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine (CID 46999902) is 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine is COc1cccc(CNCc2nc3c(C)cccc3o2)c1OCCN(C)C.
What is the InChIKey of 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine?
The InChIKey is MURKLPOQDHZUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15-7-5-9-17-20(15)23-19(27-17)14-22-13-16-8-6-10-18(25-4)21(16)26-12-11-24(2)3/h5-10,22H,11-14H2,1-4H3.
What are the key properties of 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine?
2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine has a molecular weight of 369.47 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-6-[[(4-methyl-1,3-benzoxazol-2-yl)methylamino]methyl]phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 46999902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).