1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine

C18H20BrN — CID 83988302

IUPAC1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1cc2c(cc1Br)CCCC2
InChIInChI=1S/C18H20BrN/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,18H,4-5,8-10,20H2
InChIKeyKSGDWAXPDLMXAR-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.57
Rot. Bonds3

About 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine

1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine (PubChem CID 83988302) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine
PubChem CID83988302
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1cc2c(cc1Br)CCCC2
InChIInChI=1S/C18H20BrN/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,18H,4-5,8-10,20H2
InChIKeyKSGDWAXPDLMXAR-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-phenyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 61078811
2-(4-bromophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43109357
1-(2,5-dibromo-4-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81473177
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(4-fluorophenyl)ethanamine
CID 43330374
1-(1-benzothiophen-3-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115864884
2-phenyl-1-(5,6,7,8-tetrahydroquinazolin-2-yl)ethanamine
CID 82481824
1-(1,2-dihydroacenaphthylen-5-yl)-2-phenylethanamine
CID 114939245
1-[(1E)-cycloocten-1-yl]-2-phenylethanamine
CID 106652454
1-(3-bromo-5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 43197324
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
5-(1-bromo-2-phenylethyl)-2,3-dihydro-1H-indene
CID 63440354
1-(4-fluoro-2-methylphenyl)-2-phenylethanamine
CID 62790331

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine (CID 83988302) is 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine is NC(Cc1ccccc1)c1cc2c(cc1Br)CCCC2.
What is the InChIKey of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine?
The InChIKey is KSGDWAXPDLMXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c19-17-12-15-9-5-4-8-14(15)11-16(17)18(20)10-13-6-2-1-3-7-13/h1-3,6-7,11-12,18H,4-5,8-10,20H2.
What are the key properties of 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine?
1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine 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 1-(3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-2-phenylethanamine is sourced from PubChem (CID 83988302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).