1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

C18H19BrClN — CID 115812382

IUPAC1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H19BrClN/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2
InChIKeyFWZUOQJGDKNHGK-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.61
Rot. Bonds3

About 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine

1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (PubChem CID 115812382) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
PubChem CID115812382
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
SMILESNC(CC1CCCc2ccccc21)c1cc(Br)ccc1Cl
InChIInChI=1S/C18H19BrClN/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2
InChIKeyFWZUOQJGDKNHGK-UHFFFAOYSA-N
XLogP5.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105106966
1-(4-fluoro-2-methylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 81270071
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4-dibromophenyl)ethanamine
CID 107946236
1-(5-bromothiophen-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 105107044
1-(2-bromo-6-fluorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 114886807
4-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)aniline
CID 79532990
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 103405354
1-[(5-bromo-2-fluorophenoxy)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114672636
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
1-(4-methylsulfanylphenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 115813113
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine (CID 115812382) is 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is NC(CC1CCCc2ccccc21)c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
The InChIKey is FWZUOQJGDKNHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c19-14-8-9-17(20)16(11-14)18(21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-2,4,7-9,11,13,18H,3,5-6,10,21H2.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine?
1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine has a molecular weight of 364.71 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 115812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).