1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine

C15H25NS — CID 64610288

IUPAC1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)SCC(C)C)cc1
InChIInChI=1S/C15H25NS/c1-5-13-6-8-14(9-7-13)15(16)12(4)17-10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyAUGFJULSNNOVLA-UHFFFAOYSA-N
MW251.44 g/mol
LogP4.03
Rot. Bonds6

About 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine

1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine (PubChem CID 64610288) has the molecular formula C15H25NS and a molecular weight of 251.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
PubChem CID64610288
Molecular FormulaC15H25NS
Molecular Weight251.44 g/mol
Exact Mass251.17
IUPAC Name1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine
SMILESCCc1ccc(C(N)C(C)SCC(C)C)cc1
InChIInChI=1S/C15H25NS/c1-5-13-6-8-14(9-7-13)15(16)12(4)17-10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3
InChIKeyAUGFJULSNNOVLA-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-(3-methoxypropylsulfanyl)propan-1-amine
CID 64626253
1-(4-ethylphenyl)-2-(4-methylphenyl)sulfanylpropan-1-amine
CID 64620441
(1R,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol
CID 93284110
(1R)-1-(4-ethylphenyl)ethanamine
CID 2063952
1-(4-ethylphenyl)-2-methylpropane-1,3-diamine
CID 116933036
(1S,2R)-1-amino-1-(4-ethylphenyl)propan-2-ol;hydrochloride
CID 171270161
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
3-(4-ethylphenyl)butan-2-amine
CID 66439374
(4-ethylphenyl)-[4-(2-methylpropyl)phenyl]methanamine
CID 43109928
2-N,2-N-dibutyl-1-(4-ethylphenyl)propane-1,2-diamine
CID 43309942
3-[1-amino-1-(4-methylphenyl)propan-2-yl]sulfanyl-2-methylpropan-1-ol
CID 66102571
(1S)-1-[4-[(4-ethylphenyl)methyl]phenyl]ethanamine
CID 174082683

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine (CID 64610288) is 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine is CCc1ccc(C(N)C(C)SCC(C)C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
The InChIKey is AUGFJULSNNOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS/c1-5-13-6-8-14(9-7-13)15(16)12(4)17-10-11(2)3/h6-9,11-12,15H,5,10,16H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine?
1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine has a molecular weight of 251.44 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-(2-methylpropylsulfanyl)propan-1-amine is sourced from PubChem (CID 64610288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).