5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

C16H20N2O2 — CID 139770945

IUPAC5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCOc1cccc(C2CCc3noc(N(C)C)c3C2)c1
InChIInChI=1S/C16H20N2O2/c1-18(2)16-14-10-12(7-8-15(14)17-20-16)11-5-4-6-13(9-11)19-3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyUCMZPCXVHNAVNN-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.02
Rot. Bonds3

About 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139770945) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139770945
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCOc1cccc(C2CCc3noc(N(C)C)c3C2)c1
InChIInChI=1S/C16H20N2O2/c1-18(2)16-14-10-12(7-8-15(14)17-20-16)11-5-4-6-13(9-11)19-3/h4-6,9,12H,7-8,10H2,1-3H3
InChIKeyUCMZPCXVHNAVNN-UHFFFAOYSA-N
XLogP3.02
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771202
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
1-methoxy-3-(4-methylidenecyclohexyl)benzene
CID 89380194
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
3-(3-methoxyphenyl)oxetane
CID 130113867
3-(3-methoxyphenyl)cycloheptan-1-one
CID 64505032
1-methoxy-3-(3-methylidenecyclobutyl)benzene
CID 156818546
7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771002
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
6-(2-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771071
3-(3-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 146276535

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139770945) is 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is COc1cccc(C2CCc3noc(N(C)C)c3C2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is UCMZPCXVHNAVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)16-14-10-12(7-8-15(14)17-20-16)11-5-4-6-13(9-11)19-3/h4-6,9,12H,7-8,10H2,1-3H3.
What are the key properties of 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine has a molecular weight of 272.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139770945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).