1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C16H24BrFN2O — CID 79057613

IUPAC1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C16H24BrFN2O/c1-3-16(2,20-6-8-21-9-7-20)15(19)10-12-4-5-13(17)11-14(12)18/h4-5,11,15H,3,6-10,19H2,1-2H3
InChIKeyFZSZJEFQRGTQIA-UHFFFAOYSA-N
MW359.28 g/mol
LogP2.96
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 79057613) has the molecular formula C16H24BrFN2O and a molecular weight of 359.28 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID79057613
Molecular FormulaC16H24BrFN2O
Molecular Weight359.28 g/mol
Exact Mass358.11
IUPAC Name1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(Br)cc1F)N1CCOCC1
InChIInChI=1S/C16H24BrFN2O/c1-3-16(2,20-6-8-21-9-7-20)15(19)10-12-4-5-13(17)11-14(12)18/h4-5,11,15H,3,6-10,19H2,1-2H3
InChIKeyFZSZJEFQRGTQIA-UHFFFAOYSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79065554
1-(2,5-dimethylphenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057606
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
[1-(2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-yl]hydrazine
CID 105241498
2-methyl-2-morpholin-4-yl-1-(2,3,4-trifluorophenyl)butan-1-amine
CID 79057610
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79051277
1-(2-fluorophenyl)-N,3-dimethyl-3-morpholin-4-ylpentan-2-amine
CID 79057627
3-methyl-3-morpholin-4-ylheptan-4-amine
CID 79064955
3-methyl-3-morpholin-4-yl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 79824283

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 79057613) is 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)Cc1ccc(Br)cc1F)N1CCOCC1.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is FZSZJEFQRGTQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2O/c1-3-16(2,20-6-8-21-9-7-20)15(19)10-12-4-5-13(17)11-14(12)18/h4-5,11,15H,3,6-10,19H2,1-2H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 359.28 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 79057613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).