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

C16H25BrN2 — CID 115210481

IUPACN-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCc1ccc(Br)cc1CCN(C)CCC1CCCN1
InChIInChI=1S/C16H25BrN2/c1-13-5-6-15(17)12-14(13)7-10-19(2)11-8-16-4-3-9-18-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3
InChIKeyCXSVILILGCSCNE-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.37
Rot. Bonds6

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

N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine (PubChem CID 115210481) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
PubChem CID115210481
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine
SMILESCc1ccc(Br)cc1CCN(C)CCC1CCCN1
InChIInChI=1S/C16H25BrN2/c1-13-5-6-15(17)12-14(13)7-10-19(2)11-8-16-4-3-9-18-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3
InChIKeyCXSVILILGCSCNE-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylethanamine
CID 115210337
2-(5-bromo-2-methylphenyl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 115210044
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211204
N-[2-(5-bromothiophen-2-yl)ethyl]-N-methyl-2-piperidin-2-ylethanamine
CID 115211198
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
N-methyl-2-(2-methylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209429
N-[(4-bromophenyl)methyl]-N-methyl-3-piperidin-2-ylpropan-1-amine
CID 55047549
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218797
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2-(4-bromo-2-fluorophenyl)ethyl]pyrrolidine
CID 104703835
4-[2-(5-bromo-2-methylphenyl)ethyl]piperidine
CID 116925720

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The IUPAC name of N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine (CID 115210481) is N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine.
What is the SMILES notation for N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The canonical SMILES for N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine is Cc1ccc(Br)cc1CCN(C)CCC1CCCN1.
What is the InChIKey of N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
The InChIKey is CXSVILILGCSCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-5-6-15(17)12-14(13)7-10-19(2)11-8-16-4-3-9-18-16/h5-6,12,16,18H,3-4,7-11H2,1-2H3.
What are the key properties of N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine?
N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine has a molecular weight of 325.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-2-methylphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylethanamine is sourced from PubChem (CID 115210481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).