3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine

C15H22BrNS — CID 113478701

IUPAC3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCSC(C)(C)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNS/c1-15(2,18-3)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyRGOWNWGCPIFVTL-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.43
Rot. Bonds5

About 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine (PubChem CID 113478701) has the molecular formula C15H22BrNS and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
PubChem CID113478701
Molecular FormulaC15H22BrNS
Molecular Weight328.32 g/mol
Exact Mass327.07
IUPAC Name3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine
SMILESCSC(C)(C)CNC1CC(c2ccccc2Br)C1
InChIInChI=1S/C15H22BrNS/c1-15(2,18-3)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyRGOWNWGCPIFVTL-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-bromophenyl)-N-pentan-3-ylcyclobutan-1-amine
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N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
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6-[[3-(2-bromophenyl)cyclobutyl]amino]hexan-1-ol
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3-(2-bromophenyl)-N-(pyridin-4-ylmethyl)cyclobutan-1-amine
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3-(2-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclobutan-1-amine
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1-[[3-(2-bromophenyl)cyclobutyl]amino]pentan-3-ol
CID 113497556

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine (CID 113478701) is 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine is CSC(C)(C)CNC1CC(c2ccccc2Br)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine?
The InChIKey is RGOWNWGCPIFVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNS/c1-15(2,18-3)10-17-12-8-11(9-12)13-6-4-5-7-14(13)16/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine has a molecular weight of 328.32 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-methyl-2-methylsulfanylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 113478701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).