1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

C16H20ClNO2S — CID 104518952

IUPAC1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C16H20ClNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyVGDGJJPSCHPEEL-UHFFFAOYSA-N
MW325.86 g/mol
LogP3.58
Rot. Bonds5

About 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (PubChem CID 104518952) has the molecular formula C16H20ClNO2S and a molecular weight of 325.86 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
PubChem CID104518952
Molecular FormulaC16H20ClNO2S
Molecular Weight325.86 g/mol
Exact Mass325.09
IUPAC Name1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
SMILESCCNC(c1ccc(Cl)c2ccccc12)C(C)S(C)(=O)=O
InChIInChI=1S/C16H20ClNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3
InChIKeyVGDGJJPSCHPEEL-UHFFFAOYSA-N
XLogP3.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylpropan-1-amine
CID 79597096
1-(2,3-dichlorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 115851148
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylpropan-1-amine
CID 104518953
N-[1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethyl]propan-1-amine
CID 79591684
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000
1-(2,5-diethylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518885
1-(4-chloronaphthalen-1-yl)-2-methylsulfonylethanol
CID 79597388
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 104518588
N-[(4-chloronaphthalen-1-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79809208
1-(4-chloronaphthalen-1-yl)-3-methyl-N-propylbutan-1-amine
CID 79596816
N-ethyl-1-(3-methylphenyl)-2-methylsulfonylpropan-1-amine
CID 115789749
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine (CID 104518952) is 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is CCNC(c1ccc(Cl)c2ccccc12)C(C)S(C)(=O)=O.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
The InChIKey is VGDGJJPSCHPEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2S/c1-4-18-16(11(2)21(3,19)20)14-9-10-15(17)13-8-6-5-7-12(13)14/h5-11,16,18H,4H2,1-3H3.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine?
1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine has a molecular weight of 325.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-N-ethyl-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 104518952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).