N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H19BrFN — CID 82964579

IUPACN-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1cc(Br)ccc1F
InChIInChI=1S/C18H19BrFN/c1-12(16-11-14(19)9-10-17(16)20)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3
InChIKeyUPJZNCUXFVUPAW-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.32
Rot. Bonds3

About N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82964579) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82964579
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(NC1CCCc2ccccc21)c1cc(Br)ccc1F
InChIInChI=1S/C18H19BrFN/c1-12(16-11-14(19)9-10-17(16)20)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3
InChIKeyUPJZNCUXFVUPAW-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82775610
(1S)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;(1R)-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 158216876
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107850032
N-[(1S)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81374280
N-[1-(5-bromo-2-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-3-amine
CID 82962651
N-[1-(4-chloro-3-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83057984
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
N-[(1S)-1-(3-fluorophenyl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 81353260
2-bromo-N-[1-(2,5-difluorophenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686178
N-(1-thiophen-2-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43204364
2-[(7-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 167937954

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82964579) is N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(NC1CCCc2ccccc21)c1cc(Br)ccc1F.
What is the InChIKey of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is UPJZNCUXFVUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c1-12(16-11-14(19)9-10-17(16)20)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-3,5,7,9-12,18,21H,4,6,8H2,1H3.
What are the key properties of N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 348.26 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-fluorophenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82964579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).