N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine

C14H23NO3S — CID 105019058

IUPACN-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCNC(c1cccc(OC(C)C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-10(2)18-13-8-6-7-12(9-13)14(15-4)11(3)19(5,16)17/h6-11,14-15H,1-5H3
InChIKeyBRHJFSNJLTVOEQ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine

N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 105019058) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
PubChem CID105019058
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
SMILESCNC(c1cccc(OC(C)C)c1)C(C)S(C)(=O)=O
InChIInChI=1S/C14H23NO3S/c1-10(2)18-13-8-6-7-12(9-13)14(15-4)11(3)19(5,16)17/h6-11,14-15H,1-5H3
InChIKeyBRHJFSNJLTVOEQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-ol
CID 115824076
2-methoxy-N-methyl-1-(3-propan-2-yloxyphenyl)butan-1-amine
CID 116715521
2-chloro-N-methyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 62225305
(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
ethyl 2-(methylamino)-2-(3-propan-2-yloxyphenyl)acetate
CID 61212076
2-(3-propan-2-yloxyphenyl)propanoic acid
CID 67024169
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
1-(2,6-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019039
2-(furan-2-yl)-N-methyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 105029351
2-(methylamino)-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 43705705
1-(3-methoxyphenyl)-1-(methylamino)propan-2-ol
CID 116859509
2-ethoxy-N,2-dimethyl-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 116726622

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine (CID 105019058) is N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine is CNC(c1cccc(OC(C)C)c1)C(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is BRHJFSNJLTVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-10(2)18-13-8-6-7-12(9-13)14(15-4)11(3)19(5,16)17/h6-11,14-15H,1-5H3.
What are the key properties of N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine?
N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 285.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfonyl-1-(3-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 105019058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).