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

C16H15BrFN — CID 62621612

IUPAC2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2cc(F)ccc2Br)Cc2ccccc2C1
InChIInChI=1S/C16H15BrFN/c17-15-6-5-14(18)7-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeyPFFSLAWHIBXRQO-UHFFFAOYSA-N
MW320.21 g/mol
LogP3.63
Rot. Bonds2

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

2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (PubChem CID 62621612) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
PubChem CID62621612
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC Name2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
SMILESNC1(Cc2cc(F)ccc2Br)Cc2ccccc2C1
InChIInChI=1S/C16H15BrFN/c17-15-6-5-14(18)7-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2
InChIKeyPFFSLAWHIBXRQO-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-fluoro-2-methylphenyl)methyl]-1,3-dihydroinden-2-amine
CID 105373067
2-[(2,4-difluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62197516
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-amine
CID 62621053
2-[(2-bromo-5-fluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146307
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65409108
1-[(2-bromo-5-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961178
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methanamine
CID 62723685
3-[(2-bromo-5-fluorophenyl)methyl]-3-fluoroazetidine
CID 112563367
2-[(2-bromo-4-fluorophenyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 65407465

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine (CID 62621612) is 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is NC1(Cc2cc(F)ccc2Br)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is PFFSLAWHIBXRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-6-5-14(18)7-13(15)10-16(19)8-11-3-1-2-4-12(11)9-16/h1-7H,8-10,19H2.
What are the key properties of 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine?
2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 320.21 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 62621612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).