4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

C21H26BrNO3 — CID 170870238

IUPAC4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H26BrNO3/c1-24-21-15-17(3-2-10-23-11-13-25-14-12-23)6-9-20(21)26-16-18-4-7-19(22)8-5-18/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyGRLYSACOWICRCQ-UHFFFAOYSA-N
MW420.35 g/mol
LogP4.30
Rot. Bonds8

About 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine

4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (PubChem CID 170870238) has the molecular formula C21H26BrNO3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
PubChem CID170870238
Molecular FormulaC21H26BrNO3
Molecular Weight420.35 g/mol
Exact Mass419.11
IUPAC Name4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
SMILESCOc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Br)cc1
InChIInChI=1S/C21H26BrNO3/c1-24-21-15-17(3-2-10-23-11-13-25-14-12-23)6-9-20(21)26-16-18-4-7-19(22)8-5-18/h4-9,15H,2-3,10-14,16H2,1H3
InChIKeyGRLYSACOWICRCQ-UHFFFAOYSA-N
XLogP4.30
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.35
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]propyl]morpholine
CID 170869301
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3-(3,4-dimethoxy-5-phenylmethoxyphenyl)propyl]morpholine
CID 170869415
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]propyl]morpholine
CID 170870160
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The IUPAC name of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine (CID 170870238) is 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is COc1cc(CCCN2CCOCC2)ccc1OCc1ccc(Br)cc1.
What is the InChIKey of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
The InChIKey is GRLYSACOWICRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BrNO3/c1-24-21-15-17(3-2-10-23-11-13-25-14-12-23)6-9-20(21)26-16-18-4-7-19(22)8-5-18/h4-9,15H,2-3,10-14,16H2,1H3.
What are the key properties of 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine?
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine has a molecular weight of 420.35 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine is sourced from PubChem (CID 170870238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).