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

C16H20N2O2 — CID 139771002

IUPAC7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCOc1ccc(C2CCCc3c2noc3N(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-18(2)16-14-6-4-5-13(15(14)17-20-16)11-7-9-12(19-3)10-8-11/h7-10,13H,4-6H2,1-3H3
InChIKeyNVQOXPNJDDESSC-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.22
Rot. Bonds3

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

7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (PubChem CID 139771002) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
PubChem CID139771002
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
SMILESCOc1ccc(C2CCCc3c2noc3N(C)C)cc1
InChIInChI=1S/C16H20N2O2/c1-18(2)16-14-6-4-5-13(15(14)17-20-16)11-7-9-12(19-3)10-8-11/h7-10,13H,4-6H2,1-3H3
InChIKeyNVQOXPNJDDESSC-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-(3-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139770945
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
6-(4-chlorophenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139770961
[(3S)-3-(4-methoxyphenyl)cyclohexen-1-yl]oxy-trimethylsilane
CID 101214644
N,N-dimethyl-5-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771004
(3S)-3-(4-methoxyphenyl)oxolan-2-one
CID 124514698
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
(8S)-2-N-[4-(4-chloroimidazol-1-yl)-3-methoxyphenyl]-8-(4-fluorophenyl)-4-N,4-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 58075460
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(1R)-1-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 132584955
cyclohexyl-(4-methoxyphenoxy)-dimethylsilane
CID 532618
1-ethenyl-4-methoxybenzene;3-methyl-5,6-dihydro-4H-cyclopenta[c][1,2]oxazole
CID 142903013

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine (CID 139771002) is 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is COc1ccc(C2CCCc3c2noc3N(C)C)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
The InChIKey is NVQOXPNJDDESSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(2)16-14-6-4-5-13(15(14)17-20-16)11-7-9-12(19-3)10-8-11/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine?
7-(4-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 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N,N-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine is sourced from PubChem (CID 139771002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).