N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine

C11H16BrNOS — CID 143085003

IUPACN-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine
SMILESCC(C)Oc1cc(SN(C)C)ccc1Br
InChIInChI=1S/C11H16BrNOS/c1-8(2)14-11-7-9(15-13(3)4)5-6-10(11)12/h5-8H,1-4H3
InChIKeyZTAMTIFORARSLP-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.81
Rot. Bonds4

About N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine

N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine (PubChem CID 143085003) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine.

Molecular Properties

Compound NameN-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine
PubChem CID143085003
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine
SMILESCC(C)Oc1cc(SN(C)C)ccc1Br
InChIInChI=1S/C11H16BrNOS/c1-8(2)14-11-7-9(15-13(3)4)5-6-10(11)12/h5-8H,1-4H3
InChIKeyZTAMTIFORARSLP-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N,N-dimethyl-3-propan-2-yloxybenzamide
CID 131254878
2-bromo-6-methyl-3-propan-2-yloxypyridine
CID 154814935
N-(4-bromo-3-propan-2-yloxyphenyl)-N-fluorocarbamoyl chloride
CID 22151022
4-methylsulfanyl-2-propan-2-yl-1-propan-2-yloxybenzene
CID 171366460
1-bromo-2,3-difluoro-4-propan-2-yloxybenzene
CID 125116613
3-bromo-4-propan-2-yloxybenzaldehyde
CID 3832843
4-(3-bromophenyl)sulfanyl-2-propan-2-yloxyaniline
CID 83002780
2-bromo-N-(4-bromo-3-propan-2-yloxyphenyl)acetamide
CID 19882836
1-bromo-4-propan-2-yloxynaphthalene
CID 15341859
2-bromo-1,3-di(propan-2-yloxy)benzene
CID 102493711
5-methylsulfanyl-2-propan-2-yloxybenzaldehyde
CID 164894912
3-bromo-4-propan-2-yloxybenzenecarbothioamide
CID 82804581

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine?
The IUPAC name of N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine (CID 143085003) is N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine.
What is the SMILES notation for N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine?
The canonical SMILES for N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine is CC(C)Oc1cc(SN(C)C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine?
The InChIKey is ZTAMTIFORARSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8(2)14-11-7-9(15-13(3)4)5-6-10(11)12/h5-8H,1-4H3.
What are the key properties of N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine?
N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine has a molecular weight of 290.23 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-propan-2-yloxyphenyl)sulfanyl-N-methylmethanamine is sourced from PubChem (CID 143085003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).