1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine

C14H21BrN2O — CID 55016115

IUPAC1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
SMILESCC1CN(C(c2ccc(Br)cc2)C(C)N)CCO1
InChIInChI=1S/C14H21BrN2O/c1-10-9-17(7-8-18-10)14(11(2)16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3
InChIKeyJSOVPICDESGYNM-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.56
Rot. Bonds3

About 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine

1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine (PubChem CID 55016115) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
PubChem CID55016115
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine
SMILESCC1CN(C(c2ccc(Br)cc2)C(C)N)CCO1
InChIInChI=1S/C14H21BrN2O/c1-10-9-17(7-8-18-10)14(11(2)16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3
InChIKeyJSOVPICDESGYNM-UHFFFAOYSA-N
XLogP2.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine (CID 55016115) is 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine is CC1CN(C(c2ccc(Br)cc2)C(C)N)CCO1.
What is the InChIKey of 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine?
The InChIKey is JSOVPICDESGYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10-9-17(7-8-18-10)14(11(2)16)12-3-5-13(15)6-4-12/h3-6,10-11,14H,7-9,16H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine?
1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine has a molecular weight of 313.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(2-methylmorpholin-4-yl)propan-2-amine is sourced from PubChem (CID 55016115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).