N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine

C15H25NO3S — CID 106721971

IUPACN-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)16-11-14-5-7-15(8-6-14)19-9-10-20(17,18)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyMROMOXHGTPRZLU-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.39
Rot. Bonds8

About N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine

N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 106721971) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
PubChem CID106721971
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCS(=O)(=O)C(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-12(2)16-11-14-5-7-15(8-6-14)19-9-10-20(17,18)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3
InChIKeyMROMOXHGTPRZLU-UHFFFAOYSA-N
XLogP2.39
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-one
CID 106725005
N-[(4-pentoxyphenyl)methyl]propan-2-amine
CID 29288376
4-(2-propan-2-ylsulfonylethoxy)benzenesulfonyl chloride
CID 98644091
N-[[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 82007237
2-methyl-4-(2-propan-2-ylsulfonylethoxy)aniline
CID 106721630
N-[[4-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]methyl]propan-2-amine
CID 116614952
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]cyclopropanamine
CID 62422023
N-[(4-but-2-ynoxyphenyl)methyl]propan-2-amine
CID 62312497
N-[[4-[(4-bromophenoxy)methyl]phenyl]methyl]propan-2-amine
CID 63497866
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
N-[[4-[2-[methyl(2-methylsulfanylethyl)amino]ethoxy]phenyl]methyl]propan-2-amine
CID 115987764

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine (CID 106721971) is N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCS(=O)(=O)C(C)C)cc1.
What is the InChIKey of N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is MROMOXHGTPRZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-12(2)16-11-14-5-7-15(8-6-14)19-9-10-20(17,18)13(3)4/h5-8,12-13,16H,9-11H2,1-4H3.
What are the key properties of N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine?
N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 299.44 g/mol, XLogP of 2.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-propan-2-ylsulfonylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106721971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).