1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine

C10H12BrNS — CID 84805957

IUPAC1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCSc1ccc(Br)cc1C1(N)CC1
InChIInChI=1S/C10H12BrNS/c1-13-9-3-2-7(11)6-8(9)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyPZQVDCDBVYZPFH-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.12
Rot. Bonds2

About 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine

1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine (PubChem CID 84805957) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine
PubChem CID84805957
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine
SMILESCSc1ccc(Br)cc1C1(N)CC1
InChIInChI=1S/C10H12BrNS/c1-13-9-3-2-7(11)6-8(9)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyPZQVDCDBVYZPFH-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-iodophenyl)cyclopropan-1-amine
CID 167713410
1-[2,4-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 84790451
2-(1-aminocyclopentyl)-4-bromoaniline
CID 89287686
1-[3-bromo-4,5-bis(methylsulfanyl)phenyl]cyclopropan-1-amine
CID 117489455
2-(1-aminocyclopropyl)-4-bromobenzenesulfonic acid
CID 122529268
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
2-(1-aminocyclohexyl)-4-bromophenol
CID 82625595
1-(5-bromo-2-ethylphenyl)cyclohexan-1-amine
CID 84812388
5-bromo-2-methylsulfanylphenol
CID 21187949
1-(4-bromo-2-methylphenyl)cyclohexan-1-amine
CID 82305048
1-(4-methoxy-2-methylsulfanylphenyl)cyclopentan-1-amine
CID 84798785
1-(5-bromo-1-methylindol-3-yl)cyclopropan-1-amine
CID 82667140

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine?
The IUPAC name of 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine (CID 84805957) is 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine is CSc1ccc(Br)cc1C1(N)CC1.
What is the InChIKey of 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine?
The InChIKey is PZQVDCDBVYZPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c1-13-9-3-2-7(11)6-8(9)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine?
1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine has a molecular weight of 258.18 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylsulfanylphenyl)cyclopropan-1-amine is sourced from PubChem (CID 84805957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).