(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

C16H14BrF2N — CID 106942637

IUPAC(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESNC(c1c(F)ccc(Br)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14BrF2N/c17-12-5-6-13(18)14(15(12)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2
InChIKeyFZYBGEDGEODZGO-UHFFFAOYSA-N
MW338.20 g/mol
LogP4.14
Rot. Bonds2

About (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine

(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (PubChem CID 106942637) has the molecular formula C16H14BrF2N and a molecular weight of 338.20 g/mol. Its IUPAC name is (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
PubChem CID106942637
Molecular FormulaC16H14BrF2N
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
SMILESNC(c1c(F)ccc(Br)c1F)C1Cc2ccccc2C1
InChIInChI=1S/C16H14BrF2N/c17-12-5-6-13(18)14(15(12)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2
InChIKeyFZYBGEDGEODZGO-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(R)-(3-bromo-2,6-difluorophenyl)-cyclobutylmethanamine
CID 131561213
(3-bromo-2,6-difluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 106944847
(3-bromo-2,6-difluorophenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 106942605
(3-bromo-2,6-difluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106944937
(3-bromo-2,6-difluorophenyl)-(thiolan-3-yl)methanamine
CID 106944590
2,3-dihydro-1H-inden-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 65410711
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
(2,3-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410517
(3-bromo-2,6-difluorophenyl)-(4-butylcyclohexyl)methanamine
CID 106944640
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(3-bromo-2,6-difluorophenyl)-(thiolan-2-yl)methanamine
CID 106942888
2-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanamine
CID 65412077

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The IUPAC name of (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine (CID 106942637) is (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine.
What is the SMILES notation for (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The canonical SMILES for (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is NC(c1c(F)ccc(Br)c1F)C1Cc2ccccc2C1.
What is the InChIKey of (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
The InChIKey is FZYBGEDGEODZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrF2N/c17-12-5-6-13(18)14(15(12)19)16(20)11-7-9-3-1-2-4-10(9)8-11/h1-6,11,16H,7-8,20H2.
What are the key properties of (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine?
(3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine has a molecular weight of 338.20 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,6-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine is sourced from PubChem (CID 106942637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).