N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine

C15H25NO4S — CID 43807461

IUPACN-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1c(CNC(C)C)cccc1OC
InChIInChI=1S/C15H25NO4S/c1-5-21(17,18)10-9-20-15-13(11-16-12(2)3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyIDSZUMJIUVXPBN-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.01
Rot. Bonds9

About N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine

N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine (PubChem CID 43807461) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
PubChem CID43807461
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1c(CNC(C)C)cccc1OC
InChIInChI=1S/C15H25NO4S/c1-5-21(17,18)10-9-20-15-13(11-16-12(2)3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3
InChIKeyIDSZUMJIUVXPBN-UHFFFAOYSA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-2-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 60915922
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
2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60889954
N-[(3-methoxy-2-pentoxyphenyl)methyl]butan-2-amine
CID 54849405
N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807428
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
2-[(2-ethoxy-3-methoxyphenyl)methylamino]propanoic acid
CID 66525793
N-[[3-methoxy-2-(oxan-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 62386016
N-[[3-methoxy-2-(4-methylpentoxy)phenyl]methyl]ethanamine
CID 83152328
(2S)-N-[[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51988522

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine (CID 43807461) is N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine is CCS(=O)(=O)CCOc1c(CNC(C)C)cccc1OC.
What is the InChIKey of N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is IDSZUMJIUVXPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-21(17,18)10-9-20-15-13(11-16-12(2)3)7-6-8-14(15)19-4/h6-8,12,16H,5,9-11H2,1-4H3.
What are the key properties of N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 315.44 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 43807461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).