1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine

C15H22BrNS — CID 135256514

IUPAC1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine
SMILESCC(C)(C)SNCc1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C15H22BrNS/c1-15(2,3)18-17-10-11-8-12-6-4-5-7-13(12)14(16)9-11/h8-9,17H,4-7,10H2,1-3H3
InChIKeyUQUIJCZSAGYJDZ-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.86
Rot. Bonds3

About 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine

1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine (PubChem CID 135256514) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine
PubChem CID135256514
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine
SMILESCC(C)(C)SNCc1cc(Br)c2c(c1)CCCC2
InChIInChI=1S/C15H22BrNS/c1-15(2,3)18-17-10-11-8-12-6-4-5-7-13(12)14(16)9-11/h8-9,17H,4-7,10H2,1-3H3
InChIKeyUQUIJCZSAGYJDZ-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 84803876
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)propan-2-amine
CID 117388146
5-bromo-7-(isocyanatomethyl)-1,2,3,4-tetrahydronaphthalene
CID 117419064
4-[(7-bromo-2,3-dihydro-1H-inden-5-yl)methyl]piperidine
CID 84815312
2-[(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]pyrrolidine
CID 117474628
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 84708520
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)pentan-1-one
CID 165075816
1-(6-bromo-2,3-dihydro-1H-inden-4-yl)-2-methylpropan-2-amine
CID 117423845
1-(7-bromo-2,3-dihydro-1H-inden-5-yl)ethanol
CID 84702409
2-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117454978
3-amino-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-one
CID 117453193
2,4-dibromo-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 63427544

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine?
The IUPAC name of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine (CID 135256514) is 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine.
What is the SMILES notation for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine?
The canonical SMILES for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine is CC(C)(C)SNCc1cc(Br)c2c(c1)CCCC2.
What is the InChIKey of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine?
The InChIKey is UQUIJCZSAGYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-15(2,3)18-17-10-11-8-12-6-4-5-7-13(12)14(16)9-11/h8-9,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine?
1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine has a molecular weight of 328.32 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)-N-tert-butylsulfanylmethanamine is sourced from PubChem (CID 135256514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).