N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine

C15H23BrN2O — CID 115239238

IUPACN-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCc1ccc(Br)cc1CN(C)CCC1CNCCO1
InChIInChI=1S/C15H23BrN2O/c1-12-3-4-14(16)9-13(12)11-18(2)7-5-15-10-17-6-8-19-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3
InChIKeyWQXUBQUNQSRZSP-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.57
Rot. Bonds5

About N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine

N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine (PubChem CID 115239238) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
PubChem CID115239238
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
SMILESCc1ccc(Br)cc1CN(C)CCC1CNCCO1
InChIInChI=1S/C15H23BrN2O/c1-12-3-4-14(16)9-13(12)11-18(2)7-5-15-10-17-6-8-19-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3
InChIKeyWQXUBQUNQSRZSP-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
N-[2-(4-bromothiophen-2-yl)ethyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239287
1-(5-bromo-2-methylphenyl)-2-morpholin-2-ylethanone
CID 116919972
N-(5-bromo-2-methylphenyl)-N-methyl-2-morpholin-2-ylacetamide
CID 115178201
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
N-methyl-1-morpholin-2-yl-N-[(2,3,4-trimethylphenyl)methyl]methanamine
CID 115237692
N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
2-cyclobutyl-N-methyl-N-(2-morpholin-2-ylethyl)ethanamine
CID 115239302
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
CID 66429418
2-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]morpholine
CID 116868516
N-(bromomethyl)-1-(5-bromo-2-methylphenyl)-N-methylmethanamine
CID 115262115

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine (CID 115239238) is N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine is Cc1ccc(Br)cc1CN(C)CCC1CNCCO1.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
The InChIKey is WQXUBQUNQSRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-12-3-4-14(16)9-13(12)11-18(2)7-5-15-10-17-6-8-19-15/h3-4,9,15,17H,5-8,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine?
N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine has a molecular weight of 327.27 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine is sourced from PubChem (CID 115239238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).