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

C15H23BrN2O — CID 55098553

IUPAC1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2ccccc2Br)CCO1
InChIInChI=1S/C15H23BrN2O/c1-15(2)11-18(9-10-19-15)8-7-14(17)12-5-3-4-6-13(12)16/h3-6,14H,7-11,17H2,1-2H3
InChIKeyLTCUQXNAHOQLKM-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.95
Rot. Bonds4

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

1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine (PubChem CID 55098553) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
PubChem CID55098553
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine
SMILESCC1(C)CN(CCC(N)c2ccccc2Br)CCO1
InChIInChI=1S/C15H23BrN2O/c1-15(2)11-18(9-10-19-15)8-7-14(17)12-5-3-4-6-13(12)16/h3-6,14H,7-11,17H2,1-2H3
InChIKeyLTCUQXNAHOQLKM-UHFFFAOYSA-N
XLogP2.95
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromobenzyl)-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189528
4-(2-Bromobenzyl)morpholine
CID 2845477
1-[4-[[(2-Bromophenyl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53555288
3-Morpholino-1-phenylpropan-1-amine
CID 19576798
4-(2-Bromobenzyl)-2,6-dimethylmorpholine
CID 45927342
2-(2-Bromophenyl)-2-(morpholin-4-yl)acetonitrile
CID 43802955
(3-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850413
(2-Bromobenzyl)(2-methoxy-1-methylethyl)amine
CID 2850590
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropanamide
CID 91633974
N-(3-bromobenzyl)-3-(morpholin-4-yl)propan-1-amine
CID 2990084
N-[(3-bromophenyl)methyl]-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 78871629
1-[[2-(4-Bromophenyl)-1-methylpiperidin-4-yl]amino]propan-2-ol
CID 132318316

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine?
The IUPAC name of 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine (CID 55098553) is 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine is CC1(C)CN(CCC(N)c2ccccc2Br)CCO1.
What is the InChIKey of 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine?
The InChIKey is LTCUQXNAHOQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-15(2)11-18(9-10-19-15)8-7-14(17)12-5-3-4-6-13(12)16/h3-6,14H,7-11,17H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine?
1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine has a molecular weight of 327.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3-(2,2-dimethylmorpholin-4-yl)propan-1-amine is sourced from PubChem (CID 55098553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).