2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine

C14H17BrN2O — CID 66406254

IUPAC2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2cccc2CCN)c1
InChIInChI=1S/C14H17BrN2O/c1-18-13-4-5-14(15)11(9-13)10-17-8-2-3-12(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyBWMJTCPVVBWMSB-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine

2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine (PubChem CID 66406254) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
PubChem CID66406254
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
SMILESCOc1ccc(Br)c(Cn2cccc2CCN)c1
InChIInChI=1S/C14H17BrN2O/c1-18-13-4-5-14(15)11(9-13)10-17-8-2-3-12(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3
InChIKeyBWMJTCPVVBWMSB-UHFFFAOYSA-N
XLogP2.81
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-3-yl]ethanamine
CID 66405437
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
2-[1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]pyrrol-2-yl]ethanamine
CID 82895978
4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
2-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982978
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
CID 82792935
2-[1-[(2-bromo-4-nitrophenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406053
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine (CID 66406254) is 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine is COc1ccc(Br)c(Cn2cccc2CCN)c1.
What is the InChIKey of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
The InChIKey is BWMJTCPVVBWMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-18-13-4-5-14(15)11(9-13)10-17-8-2-3-12(17)6-7-16/h2-5,8-9H,6-7,10,16H2,1H3.
What are the key properties of 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine?
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine has a molecular weight of 309.21 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 66406254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).