[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine

C13H19BrN2O — CID 60878304

IUPAC[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCCN1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-3-4-13(11(9-12)10-15)17-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8,10,15H2
InChIKeyODIDHJJRUADLDN-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.38
Rot. Bonds5

About [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine

[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine (PubChem CID 60878304) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
PubChem CID60878304
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
SMILESNCc1cc(Br)ccc1OCCN1CCCC1
InChIInChI=1S/C13H19BrN2O/c14-12-3-4-13(11(9-12)10-15)17-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8,10,15H2
InChIKeyODIDHJJRUADLDN-UHFFFAOYSA-N
XLogP2.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
N-[[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]ethanamine
CID 60883674
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362
5-bromo-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22682611
[5-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanamine
CID 82889010
[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
1-[3-(4-bromo-2-methylphenoxy)propyl]pyrrolidine
CID 2296987
(5-bromo-2-decoxyphenyl)methanamine
CID 63499328
2-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 63325127
[5-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62935735
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The IUPAC name of [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine (CID 60878304) is [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine is NCc1cc(Br)ccc1OCCN1CCCC1.
What is the InChIKey of [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
The InChIKey is ODIDHJJRUADLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c14-12-3-4-13(11(9-12)10-15)17-8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8,10,15H2.
What are the key properties of [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine?
[5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine has a molecular weight of 299.21 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine is sourced from PubChem (CID 60878304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).