N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine

C14H23NO3S — CID 54936865

IUPACN-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-4-14(15-5-2)12-6-8-13(9-7-12)18-10-11-19(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyZMPORCBRTQIKON-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds8

About N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine

N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine (PubChem CID 54936865) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
PubChem CID54936865
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine
SMILESCCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-4-14(15-5-2)12-6-8-13(9-7-12)18-10-11-19(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3
InChIKeyZMPORCBRTQIKON-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-methylsulfonylethoxy)phenyl]-N-propylpropan-1-amine
CID 60915678
N-ethyl-1-(4-hexoxyphenyl)propan-1-amine
CID 43280119
1-(2-methylsulfonylethoxy)-4-propan-2-ylbenzene
CID 64763839
3-[4-[1-(ethylamino)propyl]phenoxy]propanamide
CID 43280110
(1R)-1-[4-(2-methylsulfonylethoxy)phenyl]ethanol
CID 63364098
N-ethyl-1-[4-(2-phenylethoxy)phenyl]propan-1-amine
CID 43280157
N-ethyl-2-[4-[1-(ethylamino)propyl]phenoxy]acetamide
CID 43280159
1-(4-methylphenyl)-N-(2-methylsulfonylethyl)propan-1-amine
CID 60713855
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
1-(4-butoxyphenyl)-N-ethylheptan-1-amine
CID 105125826
1-(4-pentoxyphenyl)-N-propylpropan-1-amine
CID 43280171

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine (CID 54936865) is N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine is CCNC(CC)c1ccc(OCCS(C)(=O)=O)cc1.
What is the InChIKey of N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
The InChIKey is ZMPORCBRTQIKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-14(15-5-2)12-6-8-13(9-7-12)18-10-11-19(3,16)17/h6-9,14-15H,4-5,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine?
N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(2-methylsulfonylethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 54936865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).