2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine

C14H21NO2S — CID 104986583

IUPAC2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCCNC(CC1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-3-15-14(10-11-4-5-11)12-6-8-13(9-7-12)18(2,16)17/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyZCHBIBLWWCHCKG-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.54
Rot. Bonds6

About 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine

2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 104986583) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID104986583
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCCNC(CC1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H21NO2S/c1-3-15-14(10-11-4-5-11)12-6-8-13(9-7-12)18(2,16)17/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyZCHBIBLWWCHCKG-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
N-[1-(4-methylsulfonylphenyl)propyl]cyclopentanamine
CID 50982811
2-cyclopropyl-N-ethyl-1-(3-fluoro-4-methylphenyl)ethanamine
CID 64906377
N-[(4-methylsulfonylphenyl)-phenylmethyl]ethanamine
CID 43489121
N-[2-cyclopentyl-1-(3-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115847181
2-cyclohexyl-1-(3,4-diethylphenyl)-N-ethylethanamine
CID 115482308
6-[2-cyclobutyl-1-(ethylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 103162895
N-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43488878
N-[(4-chlorophenyl)-(4-methylsulfonylphenyl)methyl]ethanamine
CID 43489004
2-cyclopropyl-N-ethyl-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 55032271

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine (CID 104986583) is 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine is CCNC(CC1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is ZCHBIBLWWCHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-3-15-14(10-11-4-5-11)12-6-8-13(9-7-12)18(2,16)17/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine?
2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 267.39 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-ethyl-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 104986583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).