1-(4-amino-2-bromophenyl)pyrrolidin-3-ol

C10H13BrN2O — CID 62917357

IUPAC1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CCC(O)C2)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-9-5-7(12)1-2-10(9)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2
InChIKeyFNBLKOQMPZWHOJ-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.60
Rot. Bonds1

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

1-(4-amino-2-bromophenyl)pyrrolidin-3-ol (PubChem CID 62917357) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
PubChem CID62917357
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name1-(4-amino-2-bromophenyl)pyrrolidin-3-ol
SMILESNc1ccc(N2CCC(O)C2)c(Br)c1
InChIInChI=1S/C10H13BrN2O/c11-9-5-7(12)1-2-10(9)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2
InChIKeyFNBLKOQMPZWHOJ-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(3-hydroxypyrrolidin-1-yl)benzoic acid
CID 62943071
2-[1-(4-amino-2-bromophenyl)pyrrolidin-3-yl]ethanol
CID 114796896
1-[4-amino-2-(difluoromethyl)phenyl]pyrrolidin-3-ol
CID 63736538
(3R)-1-(4-amino-2-methoxyphenyl)pyrrolidin-3-ol
CID 67215346
1-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 53408258
3-bromo-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 66391697
1-[(4-amino-2-bromophenyl)methyl]pyrrolidin-3-ol
CID 62941685
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
1-[4-[(1R)-1-aminoethyl]-2-bromophenyl]piperidin-3-ol
CID 78934473
3-bromo-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]aniline
CID 62995649
3-bromo-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 79018528
(3R)-1-(4-amino-2-pyridinyl)pyrrolidin-3-ol
CID 94895351

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol (CID 62917357) is 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol is Nc1ccc(N2CCC(O)C2)c(Br)c1.
What is the InChIKey of 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol?
The InChIKey is FNBLKOQMPZWHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-5-7(12)1-2-10(9)13-4-3-8(14)6-13/h1-2,5,8,14H,3-4,6,12H2.
What are the key properties of 1-(4-amino-2-bromophenyl)pyrrolidin-3-ol?
1-(4-amino-2-bromophenyl)pyrrolidin-3-ol has a molecular weight of 257.13 g/mol, XLogP of 1.60, 1 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)pyrrolidin-3-ol is sourced from PubChem (CID 62917357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).