2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C18H21NS — CID 79228619

IUPAC2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1CCSc1ccccc1
InChIInChI=1S/C18H21NS/c19-18-15(11-10-14-6-4-5-9-17(14)18)12-13-20-16-7-2-1-3-8-16/h1-9,15,18H,10-13,19H2
InChIKeyFAZDAHBQCOCKRA-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.43
Rot. Bonds4

About 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine

2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 79228619) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID79228619
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC Name2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESNC1c2ccccc2CCC1CCSc1ccccc1
InChIInChI=1S/C18H21NS/c19-18-15(11-10-14-6-4-5-9-17(14)18)12-13-20-16-7-2-1-3-8-16/h1-9,15,18H,10-13,19H2
InChIKeyFAZDAHBQCOCKRA-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79228511
[(1S,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-yl]methanol
CID 96762744
2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104648344
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79559488
4-(2-phenylsulfanylethyl)thiolan-3-amine
CID 83196484
(1R,2S)-1-amino-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride
CID 172885282
2-(furan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 126460273
2-(2-phenylsulfanylethyl)cyclohexan-1-ol
CID 79228950
1-bromo-2-(2-phenylsulfanylethyl)cycloheptane
CID 79228964
2-[(5-chloro-2-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103047213
2-[(2,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 46230878
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 79228619) is 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is NC1c2ccccc2CCC1CCSc1ccccc1.
What is the InChIKey of 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FAZDAHBQCOCKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c19-18-15(11-10-14-6-4-5-9-17(14)18)12-13-20-16-7-2-1-3-8-16/h1-9,15,18H,10-13,19H2.
What are the key properties of 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 79228619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).