5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H15BrFNO — CID 80562868

IUPAC5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c17-14-7-10(1-4-15(14)18)9-16(20)6-5-11-8-12(19)2-3-13(11)16/h1-4,7-8,20H,5-6,9,19H2
InChIKeyWOSOZILNQRXDRQ-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.55
Rot. Bonds2

About 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 80562868) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID80562868
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C16H15BrFNO/c17-14-7-10(1-4-15(14)18)9-16(20)6-5-11-8-12(19)2-3-13(11)16/h1-4,7-8,20H,5-6,9,19H2
InChIKeyWOSOZILNQRXDRQ-UHFFFAOYSA-N
XLogP3.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 80562844
6-bromo-2-[(3-bromo-4-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63630973
[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407326
2-bromo-4-[[1-(chloromethyl)cyclopropyl]methyl]-1-fluorobenzene
CID 66033542
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
5-amino-1-[(4-amino-3-pyridinyl)methyl]-2,3-dihydroinden-1-ol
CID 80562688
1-[(3,4-difluorophenyl)methyl]-4-fluoro-2,3-dihydroinden-1-ol
CID 83069495
5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 80562646
5-amino-1-(2-methylpentyl)-2,3-dihydroinden-1-ol
CID 80562590
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148
4-[(3-bromo-4-fluorophenyl)methyl]-4-(bromomethyl)-2,3-dihydro-1H-naphthalene
CID 66048537

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 80562868) is 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)Cc1ccc(F)c(Br)c1.
What is the InChIKey of 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is WOSOZILNQRXDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c17-14-7-10(1-4-15(14)18)9-16(20)6-5-11-8-12(19)2-3-13(11)16/h1-4,7-8,20H,5-6,9,19H2.
What are the key properties of 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 336.20 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).