[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine

C13H20ClNO3S — CID 106721622

IUPAC[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-13(2,3)19(16,17)7-6-18-11-5-4-10(9-15)12(14)8-11/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyQMEPAPRANBBPKC-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.39
Rot. Bonds5

About [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine

[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine (PubChem CID 106721622) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine.

Molecular Properties

Compound Name[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
PubChem CID106721622
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC Name[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
SMILESCC(C)(C)S(=O)(=O)CCOc1ccc(CN)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-13(2,3)19(16,17)7-6-18-11-5-4-10(9-15)12(14)8-11/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyQMEPAPRANBBPKC-UHFFFAOYSA-N
XLogP2.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-tert-butylsulfonylethoxy)-2-chloropyridine
CID 106735269
3-[4-(aminomethyl)-3-chlorophenoxy]propanamide
CID 102723769
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
CID 106722438
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
2-[2-[4-(aminomethyl)-3-chlorophenoxy]ethoxy]ethanol
CID 102723882
2-[4-(aminomethyl)-3-chlorophenoxy]acetic acid
CID 102723879
4-(2-tert-butylsulfonylethoxy)benzenecarbothioamide
CID 106724892
3-[4-(aminomethyl)-3-chlorophenoxy]-N-propan-2-ylpropanamide
CID 102723750
4-(2-tert-butylsulfonylethoxy)-2-fluorobenzenecarbothioamide
CID 106724915
[4-(2-tert-butylsulfonylethoxy)-2-fluorophenyl]boronic acid
CID 106726786
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanamine
CID 106722297

Frequently Asked Questions

What is the IUPAC name of [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine?
The IUPAC name of [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine (CID 106721622) is [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine.
What is the SMILES notation for [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine?
The canonical SMILES for [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine is CC(C)(C)S(=O)(=O)CCOc1ccc(CN)c(Cl)c1.
What is the InChIKey of [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine?
The InChIKey is QMEPAPRANBBPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-13(2,3)19(16,17)7-6-18-11-5-4-10(9-15)12(14)8-11/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine?
[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine has a molecular weight of 305.83 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine is sourced from PubChem (CID 106721622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).