1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

C16H26BrNOS — CID 65325525

IUPAC1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNOS/c1-6-18-13(11-20-16(2,3)4)9-12-10-14(19-5)7-8-15(12)17/h7-8,10,13,18H,6,9,11H2,1-5H3
InChIKeyMMCSFMXEXQKNPL-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.51
Rot. Bonds7

About 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine

1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (PubChem CID 65325525) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
PubChem CID65325525
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine
SMILESCCNC(CSC(C)(C)C)Cc1cc(OC)ccc1Br
InChIInChI=1S/C16H26BrNOS/c1-6-18-13(11-20-16(2,3)4)9-12-10-14(19-5)7-8-15(12)17/h7-8,10,13,18H,6,9,11H2,1-5H3
InChIKeyMMCSFMXEXQKNPL-UHFFFAOYSA-N
XLogP4.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 65325611
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-thiophen-2-ylpropan-2-amine
CID 65325080
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 65322935
[1-(2-bromo-5-methoxyphenyl)-4-ethoxybutan-2-yl]hydrazine
CID 105309540
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
[1-(2-bromo-5-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-yl]hydrazine
CID 105226806
2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
CID 107004487

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine (CID 65325525) is 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine is CCNC(CSC(C)(C)C)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
The InChIKey is MMCSFMXEXQKNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-6-18-13(11-20-16(2,3)4)9-12-10-14(19-5)7-8-15(12)17/h7-8,10,13,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine?
1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine has a molecular weight of 360.36 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-tert-butylsulfanyl-N-ethylpropan-2-amine is sourced from PubChem (CID 65325525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).