2-(3-bromophenyl)-1-naphthalen-1-ylethanamine

C18H16BrN — CID 63412102

IUPAC2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN/c19-15-8-3-5-13(11-15)12-18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12,20H2
InChIKeyJDOSFLNNZNBNCM-UHFFFAOYSA-N
MW326.24 g/mol
LogP4.84
Rot. Bonds3

About 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine

2-(3-bromophenyl)-1-naphthalen-1-ylethanamine (PubChem CID 63412102) has the molecular formula C18H16BrN and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
PubChem CID63412102
Molecular FormulaC18H16BrN
Molecular Weight326.24 g/mol
Exact Mass325.05
IUPAC Name2-(3-bromophenyl)-1-naphthalen-1-ylethanamine
SMILESNC(Cc1cccc(Br)c1)c1cccc2ccccc12
InChIInChI=1S/C18H16BrN/c19-15-8-3-5-13(11-15)12-18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12,20H2
InChIKeyJDOSFLNNZNBNCM-UHFFFAOYSA-N
XLogP4.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1-isoquinolin-4-ylethanamine
CID 63939977
2-(3-bromophenyl)-1-isoquinolin-8-ylethanamine
CID 103137033
2-(3-bromophenyl)-1-(2,4,5-trifluorophenyl)ethanamine
CID 103301920
2-(3-bromophenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106687863
2-(3-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63412142
1-(6-bromonaphthalen-2-yl)-2-(3-bromophenyl)ethanamine
CID 115354107
2-(4-tert-butylphenyl)-1-naphthalen-1-ylethanamine
CID 84752961
2-(3-bromophenyl)-1-(3,5-dichlorophenyl)ethanamine
CID 55225085
(2,5-dibromophenyl)-naphthalen-1-ylmethanamine
CID 43108974
2-(3-bromophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 60819321
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
2-(3-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 60820005

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine (CID 63412102) is 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine is NC(Cc1cccc(Br)c1)c1cccc2ccccc12.
What is the InChIKey of 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine?
The InChIKey is JDOSFLNNZNBNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN/c19-15-8-3-5-13(11-15)12-18(20)17-10-4-7-14-6-1-2-9-16(14)17/h1-11,18H,12,20H2.
What are the key properties of 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine?
2-(3-bromophenyl)-1-naphthalen-1-ylethanamine has a molecular weight of 326.24 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 63412102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).