2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline

C15H23NO3S — CID 167915097

IUPAC2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline
SMILESCOc1cc(CS(C)(=O)=O)ccc1NCCC1(C)CC1
InChIInChI=1S/C15H23NO3S/c1-15(6-7-15)8-9-16-13-5-4-12(10-14(13)19-2)11-20(3,17)18/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyBHAAYYAZOJNMPZ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.84
Rot. Bonds7

About 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline

2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline (PubChem CID 167915097) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline
PubChem CID167915097
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline
SMILESCOc1cc(CS(C)(=O)=O)ccc1NCCC1(C)CC1
InChIInChI=1S/C15H23NO3S/c1-15(6-7-15)8-9-16-13-5-4-12(10-14(13)19-2)11-20(3,17)18/h4-5,10,16H,6-9,11H2,1-3H3
InChIKeyBHAAYYAZOJNMPZ-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-4-(methylsulfonylmethyl)phenyl]methanamine
CID 106794463
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653
N-[(3,4-dimethoxyphenyl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51086176
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
N-[4-(aminomethyl)-2-methoxyphenyl]cyclopropanesulfonamide
CID 113460263
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
4-(aminomethyl)-2-methoxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 102704641
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
1-N-methyl-4-(methylsulfonylmethyl)benzene-1,2-diamine
CID 160506958
N-ethyl-2-methoxy-4-methylsulfonylaniline
CID 170597285
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 4783224
N-[4-methoxy-3-[2-(1-methoxycyclobutyl)ethylamino]phenyl]methanesulfonamide
CID 167961408

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline?
The IUPAC name of 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline (CID 167915097) is 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline.
What is the SMILES notation for 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline?
The canonical SMILES for 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline is COc1cc(CS(C)(=O)=O)ccc1NCCC1(C)CC1.
What is the InChIKey of 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline?
The InChIKey is BHAAYYAZOJNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-15(6-7-15)8-9-16-13-5-4-12(10-14(13)19-2)11-20(3,17)18/h4-5,10,16H,6-9,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline?
2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline has a molecular weight of 297.42 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-methylcyclopropyl)ethyl]-4-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 167915097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).