2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine

C14H23NS — CID 64613236

IUPAC2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CSC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyKRECDJLEVRQRSZ-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.78
Rot. Bonds4

About 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine

2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine (PubChem CID 64613236) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine.

Molecular Properties

Compound Name2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine
PubChem CID64613236
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine
SMILESCCc1ccc(C(N)CSC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13H,5,10,15H2,1-4H3
InChIKeyKRECDJLEVRQRSZ-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butylsulfanyl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65132708
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
1-(4-ethylphenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 64610510
3-[2-amino-2-(4-ethylphenyl)ethyl]sulfanylbutan-1-ol
CID 66138685
2-(2,4-dimethylphenyl)sulfanyl-1-(4-ethylphenyl)ethanamine
CID 64619551
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64621992
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
2-tert-butylsulfanyl-1-quinolin-6-ylethanamine
CID 81232046
chloro-(4-ethylphenyl)methanamine
CID 116947710
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine?
The IUPAC name of 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine (CID 64613236) is 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine.
What is the SMILES notation for 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine?
The canonical SMILES for 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine is CCc1ccc(C(N)CSC(C)(C)C)cc1.
What is the InChIKey of 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine?
The InChIKey is KRECDJLEVRQRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-11-6-8-12(9-7-11)13(15)10-16-14(2,3)4/h6-9,13H,5,10,15H2,1-4H3.
What are the key properties of 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine?
2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine has a molecular weight of 237.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylsulfanyl-1-(4-ethylphenyl)ethanamine is sourced from PubChem (CID 64613236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).