N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine

C16H25BrN2O — CID 102769702

IUPACN-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CC(C)OCC2C)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-4-18-8-14-5-6-15(16(17)7-14)10-19-9-13(3)20-11-12(19)2/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeyFRUWAICHHUTSGA-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.17
Rot. Bonds5

About N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine

N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 102769702) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
PubChem CID102769702
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN2CC(C)OCC2C)c(Br)c1
InChIInChI=1S/C16H25BrN2O/c1-4-18-8-14-5-6-15(16(17)7-14)10-19-9-13(3)20-11-12(19)2/h5-7,12-13,18H,4,8-11H2,1-3H3
InChIKeyFRUWAICHHUTSGA-UHFFFAOYSA-N
XLogP3.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
CID 102769704
N-[[3-bromo-4-[(2,4-dimethylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772024
1-[3-bromo-4-[(5-ethyl-2-methylmorpholin-4-yl)methyl]phenyl]-N-methylmethanamine
CID 102770635
2-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenol
CID 82977068
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]furan-3-yl]methyl]ethanamine
CID 55074754
N-[[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-3-bromophenyl]methyl]ethanamine
CID 102770301
N-[[3-bromo-4-[(2-ethylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102769477
N-[[5-[(2,5-dimethylmorpholin-4-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62432618
N-[[3-bromo-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102768820
N-[[3-bromo-4-[(3-tert-butylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 102771876
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
N-[[2-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62432447

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine (CID 102769702) is N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine is CCNCc1ccc(CN2CC(C)OCC2C)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is FRUWAICHHUTSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-4-18-8-14-5-6-15(16(17)7-14)10-19-9-13(3)20-11-12(19)2/h5-7,12-13,18H,4,8-11H2,1-3H3.
What are the key properties of N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 341.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(2,5-dimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 102769702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).