(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine

C17H16BrNO — CID 100940229

IUPAC(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine
SMILESCC(C)[C@H]1N=C(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C17H16BrNO/c1-11(2)16-13-8-4-6-10-15(13)20-17(19-16)12-7-3-5-9-14(12)18/h3-11,16H,1-2H3/t16-/m1/s1
InChIKeyONSSOUMIPCAMFS-MRXNPFEDSA-N
MW330.23 g/mol
LogP4.99
Rot. Bonds2

About (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine

(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine (PubChem CID 100940229) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine.

Molecular Properties

Compound Name(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine
PubChem CID100940229
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine
SMILESCC(C)[C@H]1N=C(c2ccccc2Br)Oc2ccccc21
InChIInChI=1S/C17H16BrNO/c1-11(2)16-13-8-4-6-10-15(13)20-17(19-16)12-7-3-5-9-14(12)18/h3-11,16H,1-2H3/t16-/m1/s1
InChIKeyONSSOUMIPCAMFS-MRXNPFEDSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-4-methyl-5-methylidene-4H-1,3-oxazole
CID 53310587
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
6-propan-2-yl-6H-benzo[b][1]benzoxepin-5-one
CID 58780285
2-(2-bromophenyl)-4-(dimethylaminomethylidene)-1,3-oxazol-5-one
CID 3611927
1-[5-(2-bromophenyl)furan-2-yl]ethanamine
CID 62500197
N-propan-2-yl-9H-xanthen-9-amine
CID 43344196
2-methylpropane;9-phenyl-9H-xanthene
CID 158880886
2-methyl-1-(9H-xanthen-9-yl)propan-1-ol
CID 23562247
1-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 23008092
(4S)-2-(2-bromophenyl)-4-tert-butyl-5,5-diphenyl-4H-1,3-oxazole
CID 102050789
5-(2-bromophenyl)-2-(4-propan-2-ylcyclohexyl)-3,4-dihydro-2H-pyrrole
CID 142175454
1-(2-bromophenyl)-9H-fluoren-9-ol
CID 18324238

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine?
The IUPAC name of (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine (CID 100940229) is (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine.
What is the SMILES notation for (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine?
The canonical SMILES for (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine is CC(C)[C@H]1N=C(c2ccccc2Br)Oc2ccccc21.
What is the InChIKey of (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine?
The InChIKey is ONSSOUMIPCAMFS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16BrNO/c1-11(2)16-13-8-4-6-10-15(13)20-17(19-16)12-7-3-5-9-14(12)18/h3-11,16H,1-2H3/t16-/m1/s1.
What are the key properties of (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine?
(4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine has a molecular weight of 330.23 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-bromophenyl)-4-propan-2-yl-4H-1,3-benzoxazine is sourced from PubChem (CID 100940229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).