2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline

C18H19Br2N — CID 63446241

IUPAC2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19Br2N/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h6-12,21H,2-5H2,1H3
InChIKeyGCKSXCAFCAKKFK-UHFFFAOYSA-N
MW409.17 g/mol
LogP6.26
Rot. Bonds3

About 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline

2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline (PubChem CID 63446241) has the molecular formula C18H19Br2N and a molecular weight of 409.17 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
PubChem CID63446241
Molecular FormulaC18H19Br2N
Molecular Weight409.17 g/mol
Exact Mass406.99
IUPAC Name2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
SMILESCC(Nc1cc(Br)ccc1Br)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H19Br2N/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h6-12,21H,2-5H2,1H3
InChIKeyGCKSXCAFCAKKFK-UHFFFAOYSA-N
XLogP6.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.17
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
2,5-dibromo-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43736754
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
5-[1-(2,5-dibromoanilino)ethyl]benzene-1,3-diol
CID 107705827
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81356166
2,5-dibromo-N-[1-(4-methoxyphenyl)ethyl]aniline
CID 43736803
6-[bromo-(2,5-dibromophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 114374963
2,5-dibromo-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43736715
2-methoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 43110062
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,5-dimethylaniline
CID 43100562

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline?
The IUPAC name of 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline (CID 63446241) is 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline?
The canonical SMILES for 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline is CC(Nc1cc(Br)ccc1Br)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline?
The InChIKey is GCKSXCAFCAKKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2N/c1-12(21-18-11-16(19)8-9-17(18)20)14-7-6-13-4-2-3-5-15(13)10-14/h6-12,21H,2-5H2,1H3.
What are the key properties of 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline?
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline has a molecular weight of 409.17 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline is sourced from PubChem (CID 63446241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).