2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol

C14H21BrN2O2 — CID 63263660

IUPAC2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
SMILESCNCC1CCN(Cc2cc(Br)c(O)c(OC)c2)C1
InChIInChI=1S/C14H21BrN2O2/c1-16-7-10-3-4-17(8-10)9-11-5-12(15)14(18)13(6-11)19-2/h5-6,10,16,18H,3-4,7-9H2,1-2H3
InChIKeyNLIOGAXWIVWJPX-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.20
Rot. Bonds5

About 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol

2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 63263660) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
PubChem CID63263660
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol
SMILESCNCC1CCN(Cc2cc(Br)c(O)c(OC)c2)C1
InChIInChI=1S/C14H21BrN2O2/c1-16-7-10-3-4-17(8-10)9-11-5-12(15)14(18)13(6-11)19-2/h5-6,10,16,18H,3-4,7-9H2,1-2H3
InChIKeyNLIOGAXWIVWJPX-UHFFFAOYSA-N
XLogP2.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methoxyphenol
CID 30842642
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
CID 102677741
2-bromo-4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 110022595
4-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-bromo-6-methoxyphenol
CID 114960179
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 82956689
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 65056254
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65053978
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82964358
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-bromo-6-methoxyphenol
CID 82983196
2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
(3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 783278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol (CID 63263660) is 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol is CNCC1CCN(Cc2cc(Br)c(O)c(OC)c2)C1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is NLIOGAXWIVWJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-16-7-10-3-4-17(8-10)9-11-5-12(15)14(18)13(6-11)19-2/h5-6,10,16,18H,3-4,7-9H2,1-2H3.
What are the key properties of 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol?
2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 329.24 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 63263660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).