1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine

C15H23BrN2O2 — CID 102946269

IUPAC1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCN1CCOC(COc2cc(Br)ccc2C(C)N)C1
InChIInChI=1S/C15H23BrN2O2/c1-3-18-6-7-19-13(9-18)10-20-15-8-12(16)4-5-14(15)11(2)17/h4-5,8,11,13H,3,6-7,9-10,17H2,1-2H3
InChIKeyMPCXOMKVLQGVHF-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.57
Rot. Bonds5

About 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine

1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 102946269) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.26 g/mol. Its IUPAC name is 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID102946269
Molecular FormulaC15H23BrN2O2
Molecular Weight343.26 g/mol
Exact Mass342.09
IUPAC Name1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCN1CCOC(COc2cc(Br)ccc2C(C)N)C1
InChIInChI=1S/C15H23BrN2O2/c1-3-18-6-7-19-13(9-18)10-20-15-8-12(16)4-5-14(15)11(2)17/h4-5,8,11,13H,3,6-7,9-10,17H2,1-2H3
InChIKeyMPCXOMKVLQGVHF-UHFFFAOYSA-N
XLogP2.57
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]aniline
CID 79167033
(1R)-1-[4-[(4-ethylmorpholin-2-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718195
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
(1R)-1-[4-bromo-2-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 103133522
3-[(4-ethylmorpholin-2-yl)methoxy]-4-methylaniline
CID 79166695
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79182209
[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166316
(1R)-1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79172537

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 102946269) is 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine is CCN1CCOC(COc2cc(Br)ccc2C(C)N)C1.
What is the InChIKey of 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is MPCXOMKVLQGVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-3-18-6-7-19-13(9-18)10-20-15-8-12(16)4-5-14(15)11(2)17/h4-5,8,11,13H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine?
1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 343.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 102946269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).