6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

C16H22BrNO — CID 55249417

IUPAC6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(NC1CCc2cc(Br)ccc2C1)C1CCCO1
InChIInChI=1S/C16H22BrNO/c1-11(16-3-2-8-19-16)18-15-7-5-12-9-14(17)6-4-13(12)10-15/h4,6,9,11,15-16,18H,2-3,5,7-8,10H2,1H3
InChIKeyFKWUHHNGOYEMFQ-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.46
Rot. Bonds3

About 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 55249417) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID55249417
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCC(NC1CCc2cc(Br)ccc2C1)C1CCCO1
InChIInChI=1S/C16H22BrNO/c1-11(16-3-2-8-19-16)18-15-7-5-12-9-14(17)6-4-13(12)10-15/h4,6,9,11,15-16,18H,2-3,5,7-8,10H2,1H3
InChIKeyFKWUHHNGOYEMFQ-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
6-bromo-N-(4-methylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249808
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propan-1-ol
CID 63626390
6-bromo-N-but-3-en-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115727894
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
6-bromo-N-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118
6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63625695
6-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115726927
N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
1-N-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 63626053
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 104925952

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine (CID 55249417) is 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is CC(NC1CCc2cc(Br)ccc2C1)C1CCCO1.
What is the InChIKey of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is FKWUHHNGOYEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11(16-3-2-8-19-16)18-15-7-5-12-9-14(17)6-4-13(12)10-15/h4,6,9,11,15-16,18H,2-3,5,7-8,10H2,1H3.
What are the key properties of 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 324.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 55249417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).