N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

C18H20N2O2 — CID 60589363

IUPACN-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nc3ccccc3o2)cc1C
InChIInChI=1S/C18H20N2O2/c1-13-10-14(8-9-16(13)21-3)11-20(2)12-18-19-15-6-4-5-7-17(15)22-18/h4-10H,11-12H2,1-3H3
InChIKeyOGQTWROIKYVBEN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.78
Rot. Bonds5

About N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine

N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (PubChem CID 60589363) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
PubChem CID60589363
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
SMILESCOc1ccc(CN(C)Cc2nc3ccccc3o2)cc1C
InChIInChI=1S/C18H20N2O2/c1-13-10-14(8-9-16(13)21-3)11-20(2)12-18-19-15-6-4-5-7-17(15)22-18/h4-10H,11-12H2,1-3H3
InChIKeyOGQTWROIKYVBEN-UHFFFAOYSA-N
XLogP3.78
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60589437
N-(methoxymethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 115258645
2-[2-bromo-2-(3-methoxy-4-methylphenyl)ethyl]-1,3-benzoxazole
CID 66459213
N-(1,3-benzoxazol-2-ylmethyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55409199
1-N-[(4-methoxy-3-methylphenyl)methyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115135992
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]ethanol
CID 115216225
2-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-5-amine
CID 79964128
N-(1,3-benzoxazol-2-ylmethyl)-N-[(2,5-dimethoxyphenyl)methyl]cyclopropanamine
CID 34980983
N-(1,3-benzoxazol-2-ylmethyl)-1-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methylmethanamine
CID 78900635
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848128
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine (CID 60589363) is N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is COc1ccc(CN(C)Cc2nc3ccccc3o2)cc1C.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
The InChIKey is OGQTWROIKYVBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-10-14(8-9-16(13)21-3)11-20(2)12-18-19-15-6-4-5-7-17(15)22-18/h4-10H,11-12H2,1-3H3.
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine?
N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine has a molecular weight of 296.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 60589363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).