(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

C17H16BrClFN — CID 106762496

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1CCCc2ccccc21
InChIInChI=1S/C17H16BrClFN/c18-14-9-8-13(16(20)15(14)19)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2
InChIKeyJDFGESCXNYSIDK-UHFFFAOYSA-N
MW368.68 g/mol
LogP5.36
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine

(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (PubChem CID 106762496) has the molecular formula C17H16BrClFN and a molecular weight of 368.68 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
PubChem CID106762496
Molecular FormulaC17H16BrClFN
Molecular Weight368.68 g/mol
Exact Mass367.01
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
SMILESNC(c1ccc(Br)c(Cl)c1F)C1CCCc2ccccc21
InChIInChI=1S/C17H16BrClFN/c18-14-9-8-13(16(20)15(14)19)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2
InChIKeyJDFGESCXNYSIDK-UHFFFAOYSA-N
XLogP5.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine 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

(4-bromo-3-chloro-2-fluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanamine
CID 106762643
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80530919
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 80533090
(5-fluoro-2-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 62718085
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
(4-bromothiophen-3-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 79595191
1-[chloro-(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63433876
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine (CID 106762496) is (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is NC(c1ccc(Br)c(Cl)c1F)C1CCCc2ccccc21.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
The InChIKey is JDFGESCXNYSIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClFN/c18-14-9-8-13(16(20)15(14)19)17(21)12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,8-9,12,17H,3,5,7,21H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine?
(4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine has a molecular weight of 368.68 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chloro-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine is sourced from PubChem (CID 106762496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).