1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine

C17H27BrN2O — CID 102745806

IUPAC1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2ccc(Br)cc2)CC(C)(C)O1
InChIInChI=1S/C17H27BrN2O/c1-16(2)11-20(12-17(3,4)21-16)10-9-15(19)13-5-7-14(18)8-6-13/h5-8,15H,9-12,19H2,1-4H3
InChIKeyUIDOZXPDBVKMHT-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.73
Rot. Bonds4

About 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine

1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine (PubChem CID 102745806) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
PubChem CID102745806
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2ccc(Br)cc2)CC(C)(C)O1
InChIInChI=1S/C17H27BrN2O/c1-16(2)11-20(12-17(3,4)21-16)10-9-15(19)13-5-7-14(18)8-6-13/h5-8,15H,9-12,19H2,1-4H3
InChIKeyUIDOZXPDBVKMHT-UHFFFAOYSA-N
XLogP3.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine (CID 102745806) is 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine is CC1(C)CN(CCC(N)c2ccc(Br)cc2)CC(C)(C)O1.
What is the InChIKey of 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
The InChIKey is UIDOZXPDBVKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-16(2)11-20(12-17(3,4)21-16)10-9-15(19)13-5-7-14(18)8-6-13/h5-8,15H,9-12,19H2,1-4H3.
What are the key properties of 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine?
1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine has a molecular weight of 355.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 102745806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).