(3-bromo-4-propylsulfanylphenyl)methanamine

C10H14BrNS — CID 82810290

IUPAC(3-bromo-4-propylsulfanylphenyl)methanamine
SMILESCCCSc1ccc(CN)cc1Br
InChIInChI=1S/C10H14BrNS/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3
InChIKeyXLADUVAYNPJHPZ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.41
Rot. Bonds4

About (3-bromo-4-propylsulfanylphenyl)methanamine

(3-bromo-4-propylsulfanylphenyl)methanamine (PubChem CID 82810290) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is (3-bromo-4-propylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-propylsulfanylphenyl)methanamine
PubChem CID82810290
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name(3-bromo-4-propylsulfanylphenyl)methanamine
SMILESCCCSc1ccc(CN)cc1Br
InChIInChI=1S/C10H14BrNS/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3
InChIKeyXLADUVAYNPJHPZ-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

(3-bromo-4-ethylsulfanylphenyl)methanamine
CID 82810180
[3-bromo-4-(2-methylbutylsulfanyl)phenyl]methanamine
CID 107752055
2-(3-bromo-4-ethylsulfanylphenyl)ethanamine
CID 105424591
(3-methyl-4-pentylsulfanylphenyl)methanamine
CID 107761403
(3-propylsulfanylphenyl)methanamine
CID 66356001
N-[1-(3-bromo-4-propylsulfanylphenyl)ethyl]propan-1-amine
CID 63532594
(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
(3-bromo-4-pyridin-4-ylsulfanylphenyl)methanamine
CID 82809728
(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
CID 82809229
[3-bromo-4-(3,4-difluorophenyl)sulfanylphenyl]methanamine
CID 82809947
3-bromo-4-(2-fluoroethylsulfanyl)aniline
CID 82841634
(3-bromo-4-pentoxyphenyl)methanamine
CID 63047212

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-propylsulfanylphenyl)methanamine?
The IUPAC name of (3-bromo-4-propylsulfanylphenyl)methanamine (CID 82810290) is (3-bromo-4-propylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-propylsulfanylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-propylsulfanylphenyl)methanamine is CCCSc1ccc(CN)cc1Br.
What is the InChIKey of (3-bromo-4-propylsulfanylphenyl)methanamine?
The InChIKey is XLADUVAYNPJHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6H,2,5,7,12H2,1H3.
What are the key properties of (3-bromo-4-propylsulfanylphenyl)methanamine?
(3-bromo-4-propylsulfanylphenyl)methanamine has a molecular weight of 260.20 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-propylsulfanylphenyl)methanamine is sourced from PubChem (CID 82810290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).