2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine

C22H20N2O2 — CID 16731239

IUPAC2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc4O3)c2)c1
InChIInChI=1S/C22H20N2O2/c1-22(24-21(23)19-11-3-4-12-20(19)26-22)17-9-5-7-15(13-17)16-8-6-10-18(14-16)25-2/h3-14H,1-2H3,(H2,23,24)
InChIKeyRHBKGFVBSYKCMN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.33
Rot. Bonds3

About 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine

2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine (PubChem CID 16731239) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine
PubChem CID16731239
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine
SMILESCOc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc4O3)c2)c1
InChIInChI=1S/C22H20N2O2/c1-22(24-21(23)19-11-3-4-12-20(19)26-22)17-9-5-7-15(13-17)16-8-6-10-18(14-16)25-2/h3-14H,1-2H3,(H2,23,24)
InChIKeyRHBKGFVBSYKCMN-UHFFFAOYSA-N
XLogP4.33
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine;2,2,2-trifluoroacetic acid
CID 16731238
4-[3-amino-1-[3-(3-methoxyphenyl)phenyl]isoindol-1-yl]phenol
CID 143599411
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-5H-1,3-thiazol-4-amine
CID 71680849
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
3-(4-methoxyphenyl)-3-[3-(5-methylfuran-2-yl)phenyl]isoindol-1-amine
CID 59596308
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645
2-amino-5-cyclopropyl-5-[3-(3-methoxyphenyl)phenyl]-3-methylimidazol-4-one
CID 59262421
3-(2,6-dichloro-4-pyridinyl)-3-(3-methoxyphenyl)isoindol-1-amine
CID 59596261
3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-methylisoindol-1-amine
CID 143599384
4-[3-(3-methoxyphenyl)-4-methylphenyl]-4-phenyl-5H-1,3-oxazol-2-amine
CID 143850363

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine?
The IUPAC name of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine (CID 16731239) is 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine?
The canonical SMILES for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine is COc1cccc(-c2cccc(C3(C)N=C(N)c4ccccc4O3)c2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine?
The InChIKey is RHBKGFVBSYKCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-22(24-21(23)19-11-3-4-12-20(19)26-22)17-9-5-7-15(13-17)16-8-6-10-18(14-16)25-2/h3-14H,1-2H3,(H2,23,24).
What are the key properties of 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine?
2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine has a molecular weight of 344.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)phenyl]-2-methyl-1,3-benzoxazin-4-amine is sourced from PubChem (CID 16731239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).