4-[3-(4-bromo-2-methylphenyl)propyl]morpholine

C14H20BrNO — CID 170870052

IUPAC4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
SMILESCc1cc(Br)ccc1CCCN1CCOCC1
InChIInChI=1S/C14H20BrNO/c1-12-11-14(15)5-4-13(12)3-2-6-16-7-9-17-10-8-16/h4-5,11H,2-3,6-10H2,1H3
InChIKeyHFBLURMCZJXTQK-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.02
Rot. Bonds4

About 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine

4-[3-(4-bromo-2-methylphenyl)propyl]morpholine (PubChem CID 170870052) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
PubChem CID170870052
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
SMILESCc1cc(Br)ccc1CCCN1CCOCC1
InChIInChI=1S/C14H20BrNO/c1-12-11-14(15)5-4-13(12)3-2-6-16-7-9-17-10-8-16/h4-5,11H,2-3,6-10H2,1H3
InChIKeyHFBLURMCZJXTQK-UHFFFAOYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(5-bromo-2-fluorophenyl)propyl]morpholine
CID 170869222
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-(4,5-dimethylfuran-2-yl)propyl]morpholine
CID 170871309
4-[(7-bromo-3-methylnaphthalen-2-yl)methyl]morpholine
CID 139210695
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
4-[3-(2-bromo-6-fluoro-3-methylphenyl)propyl]morpholine
CID 170869770
4-[3-(5-bromo-2-chloro-1H-indol-3-yl)propyl]morpholine
CID 170870966
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
4-[3-[5-bromo-2-[(2-fluorophenyl)methoxy]phenyl]propyl]morpholine
CID 170870233
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine?
The IUPAC name of 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine (CID 170870052) is 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine is Cc1cc(Br)ccc1CCCN1CCOCC1.
What is the InChIKey of 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine?
The InChIKey is HFBLURMCZJXTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-12-11-14(15)5-4-13(12)3-2-6-16-7-9-17-10-8-16/h4-5,11H,2-3,6-10H2,1H3.
What are the key properties of 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine?
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine has a molecular weight of 298.22 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromo-2-methylphenyl)propyl]morpholine is sourced from PubChem (CID 170870052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).