N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine

C14H23NO3S — CID 167136329

IUPACN-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine
SMILESCCS(=O)(=O)c1cccc(OCCNCC(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-4-19(16,17)14-7-5-6-13(10-14)18-9-8-15-11-12(2)3/h5-7,10,12,15H,4,8-9,11H2,1-3H3
InChIKeyZVMQNOSUCHQUSN-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.10
Rot. Bonds8

About N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine

N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine (PubChem CID 167136329) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine
PubChem CID167136329
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine
SMILESCCS(=O)(=O)c1cccc(OCCNCC(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-4-19(16,17)14-7-5-6-13(10-14)18-9-8-15-11-12(2)3/h5-7,10,12,15H,4,8-9,11H2,1-3H3
InChIKeyZVMQNOSUCHQUSN-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-methylpropylamino)ethoxy]benzoic acid
CID 103231029
(2S)-1-(3-ethylsulfonylphenoxy)propan-2-ol
CID 175231435
N-[(4-bromothiophen-2-yl)methyl]-2-(3-methylsulfonylphenoxy)ethanamine
CID 62584728
N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-1-amine
CID 62583062
N,N-dimethyl-3-[4-(2-methylpropylamino)butoxy]aniline
CID 62485229
N-[2-(3-methylsulfonylphenoxy)ethyl]pentan-2-amine
CID 62583058
5-methyl-N-[2-(3-methylsulfonylphenoxy)ethyl]hexan-2-amine
CID 62582877
N-[2-(3,4-dichlorophenoxy)ethyl]-2-methylpropan-1-amine
CID 62484692
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
N-[2-(4-bromo-3-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 83140093
2-methyl-N-[3-(4-propoxyphenoxy)propyl]propan-1-amine
CID 62485131

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine (CID 167136329) is N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine is CCS(=O)(=O)c1cccc(OCCNCC(C)C)c1.
What is the InChIKey of N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine?
The InChIKey is ZVMQNOSUCHQUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-19(16,17)14-7-5-6-13(10-14)18-9-8-15-11-12(2)3/h5-7,10,12,15H,4,8-9,11H2,1-3H3.
What are the key properties of N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine?
N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylsulfonylphenoxy)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 167136329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).