1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine

C17H17BrFNO — CID 79699262

IUPAC1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1cc(F)cc(Br)c1)CC2
InChIInChI=1S/C17H17BrFNO/c1-21-15-3-2-12-4-5-17(20,16(12)9-15)10-11-6-13(18)8-14(19)7-11/h2-3,6-9H,4-5,10,20H2,1H3
InChIKeyUMDZZXJBMFVUMM-UHFFFAOYSA-N
MW350.23 g/mol
LogP3.94
Rot. Bonds3

About 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine

1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine (PubChem CID 79699262) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
PubChem CID79699262
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine
SMILESCOc1ccc2c(c1)C(N)(Cc1cc(F)cc(Br)c1)CC2
InChIInChI=1S/C17H17BrFNO/c1-21-15-3-2-12-4-5-17(20,16(12)9-15)10-11-6-13(18)8-14(19)7-11/h2-3,6-9H,4-5,10,20H2,1H3
InChIKeyUMDZZXJBMFVUMM-UHFFFAOYSA-N
XLogP3.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine?
The IUPAC name of 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine (CID 79699262) is 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine is COc1ccc2c(c1)C(N)(Cc1cc(F)cc(Br)c1)CC2.
What is the InChIKey of 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine?
The InChIKey is UMDZZXJBMFVUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-21-15-3-2-12-4-5-17(20,16(12)9-15)10-11-6-13(18)8-14(19)7-11/h2-3,6-9H,4-5,10,20H2,1H3.
What are the key properties of 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine?
1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine has a molecular weight of 350.23 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-5-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-amine is sourced from PubChem (CID 79699262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).