[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol

C12H17BrN2O — CID 117012261

IUPAC[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(Br)ccc1N1CCC(N)(CO)C1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)2-3-11(9)15-5-4-12(14,7-15)8-16/h2-3,6,16H,4-5,7-8,14H2,1H3
InChIKeyGIJYJRRBDQPLRZ-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.66
Rot. Bonds2

About [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol

[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol (PubChem CID 117012261) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
PubChem CID117012261
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol
SMILESCc1cc(Br)ccc1N1CCC(N)(CO)C1
InChIInChI=1S/C12H17BrN2O/c1-9-6-10(13)2-3-11(9)15-5-4-12(14,7-15)8-16/h2-3,6,16H,4-5,7-8,14H2,1H3
InChIKeyGIJYJRRBDQPLRZ-UHFFFAOYSA-N
XLogP1.66
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-bromo-2-methylphenyl)piperidine-4-carboxylic acid
CID 117011802
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
2-[3-amino-3-(hydroxymethyl)pyrrolidin-1-yl]phenol
CID 115025843
[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
CID 115052226
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanol
CID 117025606
[4-amino-1-(4-bromo-2-nitrophenyl)piperidin-4-yl]methanol
CID 133313056
[3-amino-1-(2-tert-butylphenyl)pyrrolidin-3-yl]methanol
CID 117012233
1-(4-bromo-2-methylphenyl)piperidine
CID 66800775
2-[1-(4-bromo-2-methylphenyl)-4,4-dimethylpiperidin-3-yl]ethanamine
CID 117025726
[4-amino-1-(3,4-dimethylphenyl)piperidin-4-yl]methanol
CID 117012104
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
[4-amino-1-(2,3-dimethylphenyl)piperidin-4-yl]methanol
CID 117012107

Frequently Asked Questions

What is the IUPAC name of [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol (CID 117012261) is [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol is Cc1cc(Br)ccc1N1CCC(N)(CO)C1.
What is the InChIKey of [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol?
The InChIKey is GIJYJRRBDQPLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9-6-10(13)2-3-11(9)15-5-4-12(14,7-15)8-16/h2-3,6,16H,4-5,7-8,14H2,1H3.
What are the key properties of [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol?
[3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol has a molecular weight of 285.19 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-1-(4-bromo-2-methylphenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).