1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine

C18H15Br2N — CID 79589925

IUPAC1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C18H15Br2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2
InChIKeyWNGHUUHEGOHSIE-UHFFFAOYSA-N
MW405.13 g/mol
LogP5.61
Rot. Bonds3

About 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine

1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine (PubChem CID 79589925) has the molecular formula C18H15Br2N and a molecular weight of 405.13 g/mol. Its IUPAC name is 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
PubChem CID79589925
Molecular FormulaC18H15Br2N
Molecular Weight405.13 g/mol
Exact Mass402.96
IUPAC Name1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(Br)c2ccccc12
InChIInChI=1S/C18H15Br2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2
InChIKeyWNGHUUHEGOHSIE-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 ≤ 500405.13
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
CID 79592129
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]naphthalene
CID 79590920
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123
1-(4-bromonaphthalen-1-yl)-2-(4-methylphenyl)ethanol
CID 79590447
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanamine
CID 81430292
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
CID 107538761
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanamine
CID 114602566
1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
CID 79593048
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
CID 63412102
(4-bromo-2-fluorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 79589918

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine?
The IUPAC name of 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine (CID 79589925) is 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine.
What is the SMILES notation for 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine?
The canonical SMILES for 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine?
The InChIKey is WNGHUUHEGOHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Br2N/c19-13-7-5-12(6-8-13)11-18(21)16-9-10-17(20)15-4-2-1-3-14(15)16/h1-10,18H,11,21H2.
What are the key properties of 1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine?
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine has a molecular weight of 405.13 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-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine is sourced from PubChem (CID 79589925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).