N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine

C14H23NO4S — CID 60915922

IUPACN-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)C)c1OCCS(C)(=O)=O
InChIInChI=1S/C14H23NO4S/c1-11(2)15-10-12-6-5-7-13(18-3)14(12)19-8-9-20(4,16)17/h5-7,11,15H,8-10H2,1-4H3
InChIKeyBJSFRVXGKGBOFJ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.62
Rot. Bonds8

About N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine

N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 60915922) has the molecular formula C14H23NO4S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
PubChem CID60915922
Molecular FormulaC14H23NO4S
Molecular Weight301.41 g/mol
Exact Mass301.13
IUPAC NameN-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCOc1cccc(CNC(C)C)c1OCCS(C)(=O)=O
InChIInChI=1S/C14H23NO4S/c1-11(2)15-10-12-6-5-7-13(18-3)14(12)19-8-9-20(4,16)17/h5-7,11,15H,8-10H2,1-4H3
InChIKeyBJSFRVXGKGBOFJ-UHFFFAOYSA-N
XLogP1.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461
N-[(3-methoxy-2-propoxyphenyl)methyl]propan-2-amine
CID 43472048
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
5-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 62228603
N-[[2-(3-methylsulfonylpropoxy)phenyl]methyl]propan-2-amine
CID 55160594
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
(2S)-N-[(2,3-dimethoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 775451
1-[3-bromo-2-(2-methylsulfonylethoxy)phenyl]-N-methylmethanamine
CID 61390154

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine (CID 60915922) is N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine is COc1cccc(CNC(C)C)c1OCCS(C)(=O)=O.
What is the InChIKey of N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is BJSFRVXGKGBOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4S/c1-11(2)15-10-12-6-5-7-13(18-3)14(12)19-8-9-20(4,16)17/h5-7,11,15H,8-10H2,1-4H3.
What are the key properties of N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 301.41 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 60915922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).