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

C17H17BrFN — CID 79743119

IUPAC(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCc2ccccc2C1
InChIInChI=1S/C17H17BrFN/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyFWXGGPXXZQIRKD-UHFFFAOYSA-N
MW334.23 g/mol
LogP4.39
Rot. Bonds2

About (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine

(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 79743119) has the molecular formula C17H17BrFN and a molecular weight of 334.23 g/mol. Its IUPAC name is (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
PubChem CID79743119
Molecular FormulaC17H17BrFN
Molecular Weight334.23 g/mol
Exact Mass333.05
IUPAC Name(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
SMILESNC(c1cc(Br)ccc1F)C1CCc2ccccc2C1
InChIInChI=1S/C17H17BrFN/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2
InChIKeyFWXGGPXXZQIRKD-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126557
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 79742739
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(R)-(5-bromo-2-fluorophenyl)-cyclohexylmethanamine
CID 171200620
(2,4-dichlorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126530
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
4-[amino-(5-bromo-2-fluorophenyl)methyl]cyclohexan-1-ol
CID 116941875
(5-bromo-2-fluorophenyl)-(4,4-difluorocyclohexyl)methanamine
CID 105167450
2,3-dihydro-1H-inden-2-yl-(2-fluorophenyl)methanamine
CID 65409529
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65411188
2-(2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 65404776

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine (CID 79743119) is (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is NC(c1cc(Br)ccc1F)C1CCc2ccccc2C1.
What is the InChIKey of (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is FWXGGPXXZQIRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFN/c18-14-7-8-16(19)15(10-14)17(20)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,17H,5-6,9,20H2.
What are the key properties of (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine?
(5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 334.23 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 79743119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).