2-(4-bromophenyl)-3-methyl-6-phenylmorpholine

C17H18BrNO — CID 43438861

IUPAC2-(4-bromophenyl)-3-methyl-6-phenylmorpholine
SMILESCC1NCC(c2ccccc2)OC1c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-12-17(14-7-9-15(18)10-8-14)20-16(11-19-12)13-5-3-2-4-6-13/h2-10,12,16-17,19H,11H2,1H3
InChIKeyBHLPSBSKCQLQOV-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.24
Rot. Bonds2

About 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine

2-(4-bromophenyl)-3-methyl-6-phenylmorpholine (PubChem CID 43438861) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-methyl-6-phenylmorpholine
PubChem CID43438861
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(4-bromophenyl)-3-methyl-6-phenylmorpholine
SMILESCC1NCC(c2ccccc2)OC1c1ccc(Br)cc1
InChIInChI=1S/C17H18BrNO/c1-12-17(14-7-9-15(18)10-8-14)20-16(11-19-12)13-5-3-2-4-6-13/h2-10,12,16-17,19H,11H2,1H3
InChIKeyBHLPSBSKCQLQOV-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-6-cyclopropyl-3-methylmorpholine
CID 63296972
2-(furan-2-yl)-3-methyl-6-phenylmorpholine
CID 55097965
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
2-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine
CID 82482241
2,6-diphenylmorpholine
CID 43381979
3,6-dimethyl-2-thiophen-3-ylmorpholine
CID 130834239
2-(4-bromophenyl)-5-propan-2-ylmorpholine
CID 79247039
[(2R,3S)-3-(4-bromophenyl)oxiran-2-yl]-dimethyl-phenylsilane
CID 134942155
2-(4-bromophenyl)-3,9-dimethyl-1-oxa-4-azaspiro[5.5]undecane
CID 65117821
(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 130754154
azane;2-phenylmorpholine
CID 174664757

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine?
The IUPAC name of 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine (CID 43438861) is 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine.
What is the SMILES notation for 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine?
The canonical SMILES for 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine is CC1NCC(c2ccccc2)OC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine?
The InChIKey is BHLPSBSKCQLQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-12-17(14-7-9-15(18)10-8-14)20-16(11-19-12)13-5-3-2-4-6-13/h2-10,12,16-17,19H,11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine?
2-(4-bromophenyl)-3-methyl-6-phenylmorpholine has a molecular weight of 332.24 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-methyl-6-phenylmorpholine is sourced from PubChem (CID 43438861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).