N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

C14H23NO3S — CID 79559232

IUPACN-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1ccc(C(C)NCC(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(12-6-8-13(18-4)9-7-12)15-10-14(2,3)19(5,16)17/h6-9,11,15H,10H2,1-5H3
InChIKeyUOPCVZJMDIIFPW-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.17
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine

N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (PubChem CID 79559232) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
PubChem CID79559232
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
SMILESCOc1ccc(C(C)NCC(C)(C)S(C)(=O)=O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(12-6-8-13(18-4)9-7-12)15-10-14(2,3)19(5,16)17/h6-9,11,15H,10H2,1-5H3
InChIKeyUOPCVZJMDIIFPW-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

N-[1-(4-fluorophenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552508
2-methyl-2-methylsulfonyl-N-[1-(4-nitrophenyl)ethyl]propan-1-amine
CID 79551875
3-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79623366
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644811
N-[(1S)-1-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 81363887
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
ethane;N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 143132018
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylbutan-1-amine
CID 81370465
(E)-N-[(1R)-1-(4-methoxyphenyl)ethyl]but-2-en-1-amine
CID 107899124
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropan-2-amine
CID 58628220

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine (CID 79559232) is N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is COc1ccc(C(C)NCC(C)(C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
The InChIKey is UOPCVZJMDIIFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(12-6-8-13(18-4)9-7-12)15-10-14(2,3)19(5,16)17/h6-9,11,15H,10H2,1-5H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine?
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-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-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79559232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).