2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine

C18H19BrFNO2 — CID 60609509

IUPAC2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
SMILESFc1cccc(OCCN2CCOC(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C18H19BrFNO2/c19-15-4-1-3-14(11-15)18-13-21(8-10-23-18)7-9-22-17-6-2-5-16(20)12-17/h1-6,11-12,18H,7-10,13H2
InChIKeySOWWJXKISMNWOR-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.04
Rot. Bonds5

About 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine

2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine (PubChem CID 60609509) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
PubChem CID60609509
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
SMILESFc1cccc(OCCN2CCOC(c3cccc(Br)c3)C2)c1
InChIInChI=1S/C18H19BrFNO2/c19-15-4-1-3-14(11-15)18-13-21(8-10-23-18)7-9-22-17-6-2-5-16(20)12-17/h1-6,11-12,18H,7-10,13H2
InChIKeySOWWJXKISMNWOR-UHFFFAOYSA-N
XLogP4.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,3-dioxolan-2-yl)ethyl]-2-(3-fluorophenyl)morpholine
CID 86795528
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
[2-(3-fluorophenyl)morpholin-4-yl]methyl-trimethylsilane
CID 86902020
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
1-[2-(3-fluorophenyl)morpholin-4-yl]-3-phenoxypropan-2-ol;hydrochloride
CID 138958982
(2S)-2-(4-fluorophenyl)-4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
CID 95783521
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
(2R)-2-[(3-bromophenoxy)methyl]-4-propylmorpholine
CID 99979834
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine?
The IUPAC name of 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine (CID 60609509) is 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine.
What is the SMILES notation for 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine?
The canonical SMILES for 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine is Fc1cccc(OCCN2CCOC(c3cccc(Br)c3)C2)c1.
What is the InChIKey of 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine?
The InChIKey is SOWWJXKISMNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c19-15-4-1-3-14(11-15)18-13-21(8-10-23-18)7-9-22-17-6-2-5-16(20)12-17/h1-6,11-12,18H,7-10,13H2.
What are the key properties of 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine?
2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine has a molecular weight of 380.26 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine is sourced from PubChem (CID 60609509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).