2-(3-bromophenyl)-4-methylmorpholine

C11H14BrNO — CID 82184638

IUPAC2-(3-bromophenyl)-4-methylmorpholine
SMILESCN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyGNQIJDIHMAZPGV-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.45
Rot. Bonds1

About 2-(3-bromophenyl)-4-methylmorpholine

2-(3-bromophenyl)-4-methylmorpholine (PubChem CID 82184638) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methylmorpholine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methylmorpholine
PubChem CID82184638
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-(3-bromophenyl)-4-methylmorpholine
SMILESCN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C11H14BrNO/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3
InChIKeyGNQIJDIHMAZPGV-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-4-methylsulfonylmorpholine
CID 110364445
2-(3-fluorophenyl)-4-methylmorpholine
CID 77271439
3-(4-methylmorpholin-2-yl)aniline
CID 82275083
2-(3-bromophenyl)-4-propylsulfonylmorpholine
CID 110364447
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
(2R)-2-(4-fluorophenyl)-4-methylmorpholine
CID 67355003

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methylmorpholine?
The IUPAC name of 2-(3-bromophenyl)-4-methylmorpholine (CID 82184638) is 2-(3-bromophenyl)-4-methylmorpholine.
What is the SMILES notation for 2-(3-bromophenyl)-4-methylmorpholine?
The canonical SMILES for 2-(3-bromophenyl)-4-methylmorpholine is CN1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-(3-bromophenyl)-4-methylmorpholine?
The InChIKey is GNQIJDIHMAZPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-13-5-6-14-11(8-13)9-3-2-4-10(12)7-9/h2-4,7,11H,5-6,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methylmorpholine?
2-(3-bromophenyl)-4-methylmorpholine has a molecular weight of 256.14 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methylmorpholine is sourced from PubChem (CID 82184638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).