N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine

C14H21BrN2O — CID 66426648

IUPACN-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCN(CCC1CNCCO1)Cc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-17(8-6-13-10-16-7-9-18-13)11-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyYBACOHWWXUBWMU-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine

N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine (PubChem CID 66426648) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
PubChem CID66426648
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCN(CCC1CNCCO1)Cc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-17(8-6-13-10-16-7-9-18-13)11-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3
InChIKeyYBACOHWWXUBWMU-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239238
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
N-methyl-N-(2-morpholin-2-ylethyl)pyridin-2-amine
CID 115239171
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239287
2-fluoro-3-[[methyl(morpholin-2-ylmethyl)amino]methyl]benzonitrile
CID 107119032
N-[(2-bromophenyl)methyl]-N-methyl-3-piperidin-3-ylbutan-1-amine
CID 81044635
2-cyclobutyl-N-methyl-N-(2-morpholin-2-ylethyl)ethanamine
CID 115239302
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 104792890

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine (CID 66426648) is N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine is CN(CCC1CNCCO1)Cc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The InChIKey is YBACOHWWXUBWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-17(8-6-13-10-16-7-9-18-13)11-12-4-2-3-5-14(12)15/h2-5,13,16H,6-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine has a molecular weight of 313.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine is sourced from PubChem (CID 66426648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).