[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine

C14H23NO3S — CID 106722438

IUPAC[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7H,8-10,15H2,1-4H3
InChIKeyBVFDOYWQGNENGI-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.05
Rot. Bonds5

About [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine

[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine (PubChem CID 106722438) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
PubChem CID106722438
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7H,8-10,15H2,1-4H3
InChIKeyBVFDOYWQGNENGI-UHFFFAOYSA-N
XLogP2.05
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
CID 106726317
[2-(3-methoxypropoxy)-3-methylphenyl]methanamine
CID 112607496
(2-decoxy-3-methylphenyl)methanamine
CID 115951875
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
1-(chloromethyl)-3-methyl-2-(2-methylsulfonylethoxy)benzene
CID 112613387
1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methylbenzene
CID 112613382
[3-(2-tert-butylsulfonylethoxy)-1-benzofuran-2-yl]methanamine
CID 106721620
[3-bromo-2-(2-methylsulfonylethoxy)phenyl]methanamine
CID 61389794
[2-(2-ethylsulfonylethoxy)-3-fluorophenyl]methanamine
CID 112607984
[4-(2-tert-butylsulfonylethoxy)-2-chlorophenyl]methanamine
CID 106721622
[2-[(4-tert-butylphenyl)methoxy]-3-methylphenyl]methanamine
CID 115951807
(3-methyl-2-phosphanyloxyphenyl)methanamine
CID 143384001

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine?
The IUPAC name of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine (CID 106722438) is [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine?
The canonical SMILES for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine is Cc1cccc(CN)c1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine?
The InChIKey is BVFDOYWQGNENGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7H,8-10,15H2,1-4H3.
What are the key properties of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine?
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine has a molecular weight of 285.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine is sourced from PubChem (CID 106722438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).