1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol

C11H15BrN2O — CID 62941685

IUPAC1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
SMILESNc1ccc(CN2CCC(O)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c12-11-5-9(13)2-1-8(11)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2
InChIKeyPWRHNNHYMVNCHH-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.60
Rot. Bonds2

About 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol

1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol (PubChem CID 62941685) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
PubChem CID62941685
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
SMILESNc1ccc(CN2CCC(O)C2)c(Br)c1
InChIInChI=1S/C11H15BrN2O/c12-11-5-9(13)2-1-8(11)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2
InChIKeyPWRHNNHYMVNCHH-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[(4-amino-2-bromophenyl)methyl]piperidin-3-ol
CID 60791980
(3S)-1-[(2-bromo-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103882994
3-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]aniline
CID 79174436
3-bromo-4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 63171631
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
(3R)-1-[(3,5-dibromo-2-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 103917970
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
CID 62917357
(3S)-1-[(5-bromo-2-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103663267
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylpiperidin-3-ol
CID 103898107
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol (CID 62941685) is 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol is Nc1ccc(CN2CCC(O)C2)c(Br)c1.
What is the InChIKey of 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is PWRHNNHYMVNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-11-5-9(13)2-1-8(11)6-14-4-3-10(15)7-14/h1-2,5,10,15H,3-4,6-7,13H2.
What are the key properties of 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol?
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 271.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).