N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine

C15H22BrFN2O — CID 83100350

IUPACN-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1cccc(F)c1Br
InChIInChI=1S/C15H22BrFN2O/c1-11(2)18-8-13-10-20-7-6-19(13)9-12-4-3-5-14(17)15(12)16/h3-5,11,13,18H,6-10H2,1-2H3
InChIKeyKQLKBOILKVKPOP-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.79
Rot. Bonds5

About N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine

N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine (PubChem CID 83100350) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
PubChem CID83100350
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC NameN-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1COCCN1Cc1cccc(F)c1Br
InChIInChI=1S/C15H22BrFN2O/c1-11(2)18-8-13-10-20-7-6-19(13)9-12-4-3-5-14(17)15(12)16/h3-5,11,13,18H,6-10H2,1-2H3
InChIKeyKQLKBOILKVKPOP-UHFFFAOYSA-N
XLogP2.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine (CID 83100350) is N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine is CC(C)NCC1COCCN1Cc1cccc(F)c1Br.
What is the InChIKey of N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
The InChIKey is KQLKBOILKVKPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-11(2)18-8-13-10-20-7-6-19(13)9-12-4-3-5-14(17)15(12)16/h3-5,11,13,18H,6-10H2,1-2H3.
What are the key properties of N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine?
N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine has a molecular weight of 345.26 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 83100350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).