6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

C18H28BrN — CID 63625695

IUPAC6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H28BrN/c1-3-4-5-6-7-14(2)20-18-11-9-15-12-17(19)10-8-16(15)13-18/h8,10,12,14,18,20H,3-7,9,11,13H2,1-2H3
InChIKeyHWQCQGBTIHAAEJ-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.25
Rot. Bonds7

About 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine

6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63625695) has the molecular formula C18H28BrN and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63625695
Molecular FormulaC18H28BrN
Molecular Weight338.33 g/mol
Exact Mass337.14
IUPAC Name6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCCCCC(C)NC1CCc2cc(Br)ccc2C1
InChIInChI=1S/C18H28BrN/c1-3-4-5-6-7-14(2)20-18-11-9-15-12-17(19)10-8-16(15)13-18/h8,10,12,14,18,20H,3-7,9,11,13H2,1-2H3
InChIKeyHWQCQGBTIHAAEJ-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-hex-1-yn-3-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 106226118
2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]pentanoic acid
CID 65055516
6-bromo-N-[(1S)-1-cyclopentylethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81385547
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
6-bromo-N-[(1R)-1-(2-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81354123
6-bromo-N-[1-(oxolan-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 55249417
6-bromo-N-[(1S)-1-(3-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 81369780
(2S)-2-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-phenylethanol
CID 103784050
6-bromo-N-(2,4,4-trimethylpentan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63627456

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63625695) is 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCCCCC(C)NC1CCc2cc(Br)ccc2C1.
What is the InChIKey of 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HWQCQGBTIHAAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN/c1-3-4-5-6-7-14(2)20-18-11-9-15-12-17(19)10-8-16(15)13-18/h8,10,12,14,18,20H,3-7,9,11,13H2,1-2H3.
What are the key properties of 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine?
6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 338.33 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-octan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63625695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).