(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

C10H11BrFN — CID 130742780

IUPAC(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c(F)cc(Br)cc21
InChIInChI=1S/C10H11BrFN/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1
InChIKeyDXCMAVWSJDIAKV-JTQLQIEISA-N
MW244.11 g/mol
LogP2.92
Rot. Bonds

About (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130742780) has the molecular formula C10H11BrFN and a molecular weight of 244.11 g/mol. Its IUPAC name is (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130742780
Molecular FormulaC10H11BrFN
Molecular Weight244.11 g/mol
Exact Mass243.01
IUPAC Name(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c(F)cc(Br)cc21
InChIInChI=1S/C10H11BrFN/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1
InChIKeyDXCMAVWSJDIAKV-JTQLQIEISA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 66799240
(1R)-5-fluoro-7-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131418002
(5S)-1-fluoro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79014491
(1R)-4-fluoro-2,3-dihydro-1H-indene-1,6-diamine
CID 55275275
(8R)-8-amino-4-bromo-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130826617
2-(6-bromo-4-fluoro-2,3-dihydro-1H-inden-1-yl)acetonitrile
CID 130114251
(1R)-5-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalene-1,7-diamine
CID 55275890
(1S)-7-fluoro-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131365388
(5S,6R)-6-amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51601053
(1S)-7-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94418031
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 131122901
(1R)-6-fluoro-5-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130740875

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130742780) is (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2c(F)cc(Br)cc21.
What is the InChIKey of (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is DXCMAVWSJDIAKV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11BrFN/c11-6-4-8-7(9(12)5-6)2-1-3-10(8)13/h4-5,10H,1-3,13H2/t10-/m0/s1.
What are the key properties of (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 244.11 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130742780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).