(3-bromo-4-cyclohexylsulfanylphenyl)methanamine

C13H18BrNS — CID 82809229

IUPAC(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
SMILESNCc1ccc(SC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNS/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyWKVBDJAYYVNOGH-UHFFFAOYSA-N
MW300.27 g/mol
LogP4.33
Rot. Bonds3

About (3-bromo-4-cyclohexylsulfanylphenyl)methanamine

(3-bromo-4-cyclohexylsulfanylphenyl)methanamine (PubChem CID 82809229) has the molecular formula C13H18BrNS and a molecular weight of 300.27 g/mol. Its IUPAC name is (3-bromo-4-cyclohexylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
PubChem CID82809229
Molecular FormulaC13H18BrNS
Molecular Weight300.27 g/mol
Exact Mass299.03
IUPAC Name(3-bromo-4-cyclohexylsulfanylphenyl)methanamine
SMILESNCc1ccc(SC2CCCCC2)c(Br)c1
InChIInChI=1S/C13H18BrNS/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2
InChIKeyWKVBDJAYYVNOGH-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(aminomethyl)-2-bromophenyl]sulfanylcyclopentan-1-ol
CID 150376026
(2-cyclopentylsulfanyl-5-methylphenyl)methanamine
CID 107931471
3-bromo-4-cyclohexylsulfanylbenzoic acid
CID 82802072
3-bromo-4-cyclohexylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 82799684
3-(3-bromo-4-cyclopropylsulfanylphenyl)propan-1-ol
CID 117463287
(2-cyclohexylsulfanyl-4-pyridinyl)methanamine
CID 60887048
(3-bromo-4-ethylsulfanylphenyl)methanamine
CID 82810180
[5-bromo-2-(oxan-4-ylsulfanyl)phenyl]methanamine
CID 114893852
[3-bromo-4-(cyclohexylmethoxy)phenyl]methanamine
CID 63046526
2-bromo-1-cyclopropylsulfanyl-4-fluorobenzene
CID 84706062
4-cyclohexylsulfanyl-3-fluoroaniline
CID 43303790
(3-bromo-4-propylsulfanylphenyl)methanamine
CID 82810290

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-cyclohexylsulfanylphenyl)methanamine?
The IUPAC name of (3-bromo-4-cyclohexylsulfanylphenyl)methanamine (CID 82809229) is (3-bromo-4-cyclohexylsulfanylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-cyclohexylsulfanylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-cyclohexylsulfanylphenyl)methanamine is NCc1ccc(SC2CCCCC2)c(Br)c1.
What is the InChIKey of (3-bromo-4-cyclohexylsulfanylphenyl)methanamine?
The InChIKey is WKVBDJAYYVNOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNS/c14-12-8-10(9-15)6-7-13(12)16-11-4-2-1-3-5-11/h6-8,11H,1-5,9,15H2.
What are the key properties of (3-bromo-4-cyclohexylsulfanylphenyl)methanamine?
(3-bromo-4-cyclohexylsulfanylphenyl)methanamine has a molecular weight of 300.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-cyclohexylsulfanylphenyl)methanamine is sourced from PubChem (CID 82809229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).