1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol

C21H20BrNO — CID 135025792

IUPAC1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1ccccc1Br)N1CCCC1
InChIInChI=1S/C21H20BrNO/c22-18-10-4-3-9-17(18)21(23-13-5-6-14-23)20-16-8-2-1-7-15(16)11-12-19(20)24/h1-4,7-12,21,24H,5-6,13-14H2
InChIKeyBIQRGUUQOMRYIN-UHFFFAOYSA-N
MW382.30 g/mol
LogP5.49
Rot. Bonds3

About 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol

1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol (PubChem CID 135025792) has the molecular formula C21H20BrNO and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
PubChem CID135025792
Molecular FormulaC21H20BrNO
Molecular Weight382.30 g/mol
Exact Mass381.07
IUPAC Name1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1ccccc1Br)N1CCCC1
InChIInChI=1S/C21H20BrNO/c22-18-10-4-3-9-17(18)21(23-13-5-6-14-23)20-16-8-2-1-7-15(16)11-12-19(20)24/h1-4,7-12,21,24H,5-6,13-14H2
InChIKeyBIQRGUUQOMRYIN-UHFFFAOYSA-N
XLogP5.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.30
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-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

6-bromo-1-[(2-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 135025274
7-methoxy-1-[naphthalen-1-yl(piperidin-1-yl)methyl]naphthalen-2-ol
CID 127028202
1-[[4-(dimethylamino)phenyl]-piperidin-1-ylmethyl]naphthalen-2-ol
CID 45378573
4-[(2-hydroxynaphthalen-1-yl)-piperidin-1-ylmethyl]benzonitrile
CID 91273590
1-[(2,3-difluorophenyl)-thiomorpholin-4-ylmethyl]naphthalen-2-ol
CID 102454941
1-[(R)-(4-bromophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 139082928
6-methoxy-1-[(2-methoxyphenyl)-piperidin-1-ylmethyl]naphthalen-2-ol
CID 23500857
1-[(S)-morpholin-4-yl(phenyl)methyl]naphthalen-2-ol
CID 747708
2-[(R)-phenyl(pyrrolidin-1-yl)methyl]naphthalen-1-ol
CID 141365807
1-[(5-methylfuran-2-yl)-morpholin-4-ylmethyl]naphthalen-2-ol
CID 18775206
1-[bis(2-bromophenyl)methyl]-1,4-diazepane
CID 4295323
1-[(2-bromophenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3481249

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol?
The IUPAC name of 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol (CID 135025792) is 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(c1ccccc1Br)N1CCCC1.
What is the InChIKey of 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol?
The InChIKey is BIQRGUUQOMRYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrNO/c22-18-10-4-3-9-17(18)21(23-13-5-6-14-23)20-16-8-2-1-7-15(16)11-12-19(20)24/h1-4,7-12,21,24H,5-6,13-14H2.
What are the key properties of 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol?
1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol has a molecular weight of 382.30 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-pyrrolidin-1-ylmethyl]naphthalen-2-ol is sourced from PubChem (CID 135025792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).