(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine

C10H14BrNS — CID 107280531

IUPAC(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(CN)c(Br)c1
InChIInChI=1S/C10H14BrNS/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-5,7H,6,12H2,1-2H3
InChIKeyMFVVTHVMPARJNU-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.41
Rot. Bonds3

About (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine

(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine (PubChem CID 107280531) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine
PubChem CID107280531
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine
SMILESCC(C)Sc1ccc(CN)c(Br)c1
InChIInChI=1S/C10H14BrNS/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-5,7H,6,12H2,1-2H3
InChIKeyMFVVTHVMPARJNU-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine?
The IUPAC name of (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine (CID 107280531) is (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine is CC(C)Sc1ccc(CN)c(Br)c1.
What is the InChIKey of (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine?
The InChIKey is MFVVTHVMPARJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-7(2)13-9-4-3-8(6-12)10(11)5-9/h3-5,7H,6,12H2,1-2H3.
What are the key properties of (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine?
(2-bromo-4-propan-2-ylsulfanylphenyl)methanamine has a molecular weight of 260.20 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-propan-2-ylsulfanylphenyl)methanamine is sourced from PubChem (CID 107280531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).