2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

C18H20BrN — CID 43109357

IUPAC2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20BrN/c19-17-9-5-13(6-10-17)11-18(20)16-8-7-14-3-1-2-4-15(14)12-16/h5-10,12,18H,1-4,11,20H2
InChIKeyCILJMTFBIAZJCY-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.57
Rot. Bonds3

About 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine

2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (PubChem CID 43109357) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
PubChem CID43109357
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20BrN/c19-17-9-5-13(6-10-17)11-18(20)16-8-7-14-3-1-2-4-15(14)12-16/h5-10,12,18H,1-4,11,20H2
InChIKeyCILJMTFBIAZJCY-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43198190
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,4-dimethylphenyl)ethanamine
CID 115864878
1-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 116932733
1-(2,3-dihydro-1H-inden-5-yl)-2-thiophen-3-ylethanamine
CID 61078821
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
1-(3-bromo-4-methylphenyl)-2-(4-bromophenyl)ethanamine
CID 81471892
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
2-(4-bromophenyl)-3-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 79438466
1-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-3-ylethanamine
CID 105034568
1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 43198216
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine (CID 43109357) is 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
The InChIKey is CILJMTFBIAZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-17-9-5-13(6-10-17)11-18(20)16-8-7-14-3-1-2-4-15(14)12-16/h5-10,12,18H,1-4,11,20H2.
What are the key properties of 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine?
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine has a molecular weight of 330.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine is sourced from PubChem (CID 43109357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).