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

C18H15BrClN — CID 79592129

IUPAC2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15BrClN/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
InChIKeyAZLDVXVBPHNWNZ-UHFFFAOYSA-N
MW360.68 g/mol
LogP5.50
Rot. Bonds3

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

2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine (PubChem CID 79592129) has the molecular formula C18H15BrClN and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
PubChem CID79592129
Molecular FormulaC18H15BrClN
Molecular Weight360.68 g/mol
Exact Mass359.01
IUPAC Name2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
SMILESNC(Cc1ccc(Br)cc1)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C18H15BrClN/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
InChIKeyAZLDVXVBPHNWNZ-UHFFFAOYSA-N
XLogP5.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.68
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloronaphthalen-1-yl)-2-(4-chlorophenyl)ethanamine
CID 79592123
1-(4-bromonaphthalen-1-yl)-2-(4-bromophenyl)ethanamine
CID 79589925
1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
CID 79593048
2-(4-bromophenyl)-1-quinolin-4-ylethanamine
CID 105089328
1-(4-chloronaphthalen-1-yl)-2-(2-fluorophenyl)ethanamine
CID 79591908
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
2-(4-bromophenyl)-1-(2-chloro-4-methoxyphenyl)ethanamine
CID 43561802
1-(4-chloronaphthalen-1-yl)-2,2-dimethylbutan-1-amine
CID 79597516
1-(4-bromophenyl)-3-(2-chlorophenyl)propan-2-amine
CID 60818442
1-bromo-4-[1-bromo-2-(4-bromophenyl)ethyl]naphthalene
CID 79590920
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine (CID 79592129) is 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine is NC(Cc1ccc(Br)cc1)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine?
The InChIKey is AZLDVXVBPHNWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN/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 2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine?
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine has a molecular weight of 360.68 g/mol, XLogP of 5.50, 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-(4-chloronaphthalen-1-yl)ethanamine is sourced from PubChem (CID 79592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).