1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

C16H25BrN2O2 — CID 79171162

IUPAC1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCC1CN(C)CCO1
InChIInChI=1S/C16H25BrN2O2/c1-3-13(18)9-12-5-4-6-15(17)16(12)21-11-14-10-19(2)7-8-20-14/h4-6,13-14H,3,7-11,18H2,1-2H3
InChIKeyOZTHBPJTTKLNIK-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.44
Rot. Bonds6

About 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine

1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (PubChem CID 79171162) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
PubChem CID79171162
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC Name1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cccc(Br)c1OCC1CN(C)CCO1
InChIInChI=1S/C16H25BrN2O2/c1-3-13(18)9-12-5-4-6-15(17)16(12)21-11-14-10-19(2)7-8-20-14/h4-6,13-14H,3,7-11,18H2,1-2H3
InChIKeyOZTHBPJTTKLNIK-UHFFFAOYSA-N
XLogP2.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79172506
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]benzoic acid
CID 79171337
1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 61392419
1-[6-methyl-3-[(4-methylmorpholin-2-yl)methoxy]-2-pyridinyl]butan-2-amine
CID 79171631
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 112607579
1-[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107693270
1-[3-bromo-2-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 61392575
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
[3-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 112612743
1-[5-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 79182209
1-[3-fluoro-2-(oxan-2-ylmethoxy)phenyl]butan-2-amine
CID 115958795

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine (CID 79171162) is 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cccc(Br)c1OCC1CN(C)CCO1.
What is the InChIKey of 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is OZTHBPJTTKLNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-3-13(18)9-12-5-4-6-15(17)16(12)21-11-14-10-19(2)7-8-20-14/h4-6,13-14H,3,7-11,18H2,1-2H3.
What are the key properties of 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine?
1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 357.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 79171162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).