N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

C15H23BrN2O — CID 64535311

IUPACN-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-12(2)18-7-8-19-15(11-18)10-17-9-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyBMUXRLZGIACOOT-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine

N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (PubChem CID 64535311) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
PubChem CID64535311
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
SMILESCC(C)N1CCOC(CNCc2ccc(Br)cc2)C1
InChIInChI=1S/C15H23BrN2O/c1-12(2)18-7-8-19-15(11-18)10-17-9-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyBMUXRLZGIACOOT-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine (CID 64535311) is N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is CC(C)N1CCOC(CNCc2ccc(Br)cc2)C1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
The InChIKey is BMUXRLZGIACOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12(2)18-7-8-19-15(11-18)10-17-9-13-3-5-14(16)6-4-13/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine?
N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine has a molecular weight of 327.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine is sourced from PubChem (CID 64535311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).