N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine

C15H25NO4S — CID 43807428

IUPACN-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-21(17,18)9-8-20-14-7-6-13(10-15(14)19-4)11-16-12(2)3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyAKHWVAGQXCBUDV-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.01
Rot. Bonds9

About N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine

N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine (PubChem CID 43807428) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
PubChem CID43807428
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
SMILESCCS(=O)(=O)CCOc1ccc(CNC(C)C)cc1OC
InChIInChI=1S/C15H25NO4S/c1-5-21(17,18)9-8-20-14-7-6-13(10-15(14)19-4)11-16-12(2)3/h6-7,10,12,16H,5,8-9,11H2,1-4H3
InChIKeyAKHWVAGQXCBUDV-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

1-[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 43807425
N-[[3-methoxy-4-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935357
N-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]propan-2-amine
CID 39356684
N-[(4-hept-6-enoxy-3-methoxyphenyl)methyl]propan-2-amine
CID 107006062
N-[(3-methoxy-4-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 60882435
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156148
N-[[3-bromo-4-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 63045692
N-[[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methyl]propan-2-amine
CID 61481181
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
N-[[2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine
CID 43807461
N-ethyl-2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 43309454
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43275392

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine (CID 43807428) is N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine is CCS(=O)(=O)CCOc1ccc(CNC(C)C)cc1OC.
What is the InChIKey of N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is AKHWVAGQXCBUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-21(17,18)9-8-20-14-7-6-13(10-15(14)19-4)11-16-12(2)3/h6-7,10,12,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine?
N-[[4-(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-[[4-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 43807428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).