1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine

C16H25BrN2O — CID 79065554

IUPAC1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C16H25BrN2O/c1-3-16(2,19-7-9-20-10-8-19)15(18)12-13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3
InChIKeyKGULLXOALZUMKA-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.82
Rot. Bonds5

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

1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (PubChem CID 79065554) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
PubChem CID79065554
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1cccc(Br)c1)N1CCOCC1
InChIInChI=1S/C16H25BrN2O/c1-3-16(2,19-7-9-20-10-8-19)15(18)12-13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3
InChIKeyKGULLXOALZUMKA-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-morpholin-4-yl-1-phenylpentan-2-amine
CID 79065628
1-(4-bromo-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 79057613
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
1-(3-bromophenyl)-3-ethoxy-3-ethylpentan-2-amine
CID 116759577
3-(2-amino-3-methyl-3-morpholin-4-ylpentyl)pyridin-2-amine
CID 79065403
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylbutan-2-one
CID 79045436
3-methyl-3-morpholin-4-yl-1-phenylpentan-2-ol
CID 79064866
1-(3-bromophenyl)-3-methoxy-3-methylbutan-2-amine
CID 79198468
(3-methyl-3-morpholin-4-yl-1-phenylpentan-2-yl)hydrazine
CID 105241429
1-(3-bromophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 116726195
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-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine (CID 79065554) is 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is CCC(C)(C(N)Cc1cccc(Br)c1)N1CCOCC1.
What is the InChIKey of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
The InChIKey is KGULLXOALZUMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-3-16(2,19-7-9-20-10-8-19)15(18)12-13-5-4-6-14(17)11-13/h4-6,11,15H,3,7-10,12,18H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine?
1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine has a molecular weight of 341.29 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine is sourced from PubChem (CID 79065554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).