2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

C15H23BrN2O2 — CID 60905299

IUPAC2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCCN1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-19-14-11-12(4-5-17)10-13(16)15(14)20-9-8-18-6-2-3-7-18/h10-11H,2-9,17H2,1H3
InChIKeyGFTQVHDVPVBUCL-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.43
Rot. Bonds7

About 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine

2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (PubChem CID 60905299) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
PubChem CID60905299
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
SMILESCOc1cc(CCN)cc(Br)c1OCCN1CCCC1
InChIInChI=1S/C15H23BrN2O2/c1-19-14-11-12(4-5-17)10-13(16)15(14)20-9-8-18-6-2-3-7-18/h10-11H,2-9,17H2,1H3
InChIKeyGFTQVHDVPVBUCL-UHFFFAOYSA-N
XLogP2.43
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dibromo-4-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanamine
CID 107739417
2-[3-bromo-4-(3-fluoropropoxy)-5-methoxyphenyl]ethanamine
CID 81114019
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
2-(3-bromo-4-but-2-ynoxy-5-methoxyphenyl)ethanamine
CID 62310802
2-[3-bromo-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 54931058
2-[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 22680917
[3,5-dibromo-4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 107738824
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-N-cyclopropylpropanamide
CID 62628137
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
5-bromo-3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 20991669
3-(3-bromo-4,5-dimethoxyphenyl)propan-1-amine
CID 83477684
3-[4-(2-aminoethyl)-2-bromo-6-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79620613

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The IUPAC name of 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine (CID 60905299) is 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The canonical SMILES for 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is COc1cc(CCN)cc(Br)c1OCCN1CCCC1.
What is the InChIKey of 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
The InChIKey is GFTQVHDVPVBUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-19-14-11-12(4-5-17)10-13(16)15(14)20-9-8-18-6-2-3-7-18/h10-11H,2-9,17H2,1H3.
What are the key properties of 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine?
2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine has a molecular weight of 343.27 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine is sourced from PubChem (CID 60905299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).