1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine

C13H19BrN2O — CID 82308310

IUPAC1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ccc(C)cc2Br)CCO1
InChIInChI=1S/C13H19BrN2O/c1-10-3-4-13(12(14)7-10)16-5-6-17-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyWDLFBYSMNSABRO-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.18
Rot. Bonds3

About 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine

1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine (PubChem CID 82308310) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
PubChem CID82308310
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine
SMILESCNCC1CN(c2ccc(C)cc2Br)CCO1
InChIInChI=1S/C13H19BrN2O/c1-10-3-4-13(12(14)7-10)16-5-6-17-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3
InChIKeyWDLFBYSMNSABRO-UHFFFAOYSA-N
XLogP2.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine 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

1-[4-(2-methoxy-5-methylphenyl)morpholin-2-yl]-N-methylmethanamine
CID 82297538
1-[4-(3-bromo-5-chloro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 114836366
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
1-[4-(4-ethoxy-6-methylpyrimidin-2-yl)morpholin-2-yl]-N-methylmethanamine
CID 112635080
1-[1-(2-bromo-4-methylphenyl)-5,5-dimethylpyrrolidin-3-yl]-N-methylmethanamine
CID 117018975
2-[2-(2-ethylmorpholin-4-yl)-5-methylphenyl]ethanamine
CID 114055302
4-bromo-5-[2-(methylaminomethyl)morpholin-4-yl]-2-propan-2-ylpyridazin-3-one
CID 114446623
2-methyl-4-[2-(methylaminomethyl)morpholin-4-yl]-1H-pyrimidin-6-one
CID 136978852
methyl 2-[4-(2-bromo-4-nitrophenyl)morpholin-2-yl]acetate
CID 79764169
1-[4-(3-bromo-5-nitro-4-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 103519667
[4-[2-(aminomethyl)-5-methylphenyl]morpholin-2-yl]methanol
CID 81206370
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine (CID 82308310) is 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine is CNCC1CN(c2ccc(C)cc2Br)CCO1.
What is the InChIKey of 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine?
The InChIKey is WDLFBYSMNSABRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10-3-4-13(12(14)7-10)16-5-6-17-11(9-16)8-15-2/h3-4,7,11,15H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine?
1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine has a molecular weight of 299.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-bromo-4-methylphenyl)morpholin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 82308310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).