N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine

C13H21NO3S — CID 62485042

IUPACN-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-11(10-14-5-2)17-12-6-8-13(9-7-12)18(3,15)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyWNQLBDCLWPQDHY-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.86
Rot. Bonds7

About N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine

N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine (PubChem CID 62485042) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
PubChem CID62485042
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
SMILESCCNCC(CC)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-4-11(10-14-5-2)17-12-6-8-13(9-7-12)18(3,15)16/h6-9,11,14H,4-5,10H2,1-3H3
InChIKeyWNQLBDCLWPQDHY-UHFFFAOYSA-N
XLogP1.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylsulfonylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55076924
N-ethyl-2-(3-methylsulfonylphenoxy)butan-1-amine
CID 62486290
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
N-ethyl-3-(4-methylsulfonylphenoxy)propan-1-amine
CID 43807218
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
N-ethyl-2-(4-fluorophenoxy)pentan-1-amine
CID 83046488
2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
N-methyl-2-(4-methylsulfonylphenoxy)-2-phenylethanamine
CID 62485758
2-ethyl-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 115251246
2-(4-propoxyphenoxy)-N-propylbutan-1-amine
CID 55076769
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine?
The IUPAC name of N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine (CID 62485042) is N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine is CCNCC(CC)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine?
The InChIKey is WNQLBDCLWPQDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-4-11(10-14-5-2)17-12-6-8-13(9-7-12)18(3,15)16/h6-9,11,14H,4-5,10H2,1-3H3.
What are the key properties of N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine?
N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine has a molecular weight of 271.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine is sourced from PubChem (CID 62485042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).