1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

C16H25NO2S — CID 115419809

IUPAC1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C16H25NO2S/c1-3-20(18,19)12-6-10-16(17)11-9-13(2)14-7-4-5-8-15(14)16/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3
InChIKeyPXWIRWCPWPAPSC-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine

1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 115419809) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID115419809
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
SMILESCCS(=O)(=O)CCCC1(N)CCC(C)c2ccccc21
InChIInChI=1S/C16H25NO2S/c1-3-20(18,19)12-6-10-16(17)11-9-13(2)14-7-4-5-8-15(14)16/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3
InChIKeyPXWIRWCPWPAPSC-UHFFFAOYSA-N
XLogP2.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
4-methyl-1-pentyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419566
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419894
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419799
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
(1R,4R)-4-ethyl-1,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 97103179
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
CID 75162996
1-methyl-1'-methylsulfonylspiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 134073260
2-(1-hydroxy-4-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetic acid
CID 115420224
1-(3-ethylsulfonylpropyl)cyclopropan-1-amine
CID 66024875
1-(aminomethyl)-N-ethyl-N,4-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 113305935
1-(3-ethylcyclohexyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419750

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine (CID 115419809) is 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is CCS(=O)(=O)CCCC1(N)CCC(C)c2ccccc21.
What is the InChIKey of 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is PXWIRWCPWPAPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-3-20(18,19)12-6-10-16(17)11-9-13(2)14-7-4-5-8-15(14)16/h4-5,7-8,13H,3,6,9-12,17H2,1-2H3.
What are the key properties of 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine?
1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 295.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 115419809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).