2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol

C14H23NOS — CID 110027526

IUPAC2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol
SMILESCCN(CCO)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-4-15(9-10-16)11-13-5-7-14(8-6-13)17-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyIEUJDJQJVNOJDA-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.00
Rot. Bonds7

About 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol

2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol (PubChem CID 110027526) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol
PubChem CID110027526
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol
SMILESCCN(CCO)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H23NOS/c1-4-15(9-10-16)11-13-5-7-14(8-6-13)17-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3
InChIKeyIEUJDJQJVNOJDA-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
3-[methyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]propane-1,2-diol
CID 115122230
4-[[ethyl(2-hydroxyethyl)amino]methyl]benzohydrazide
CID 63572832
2-methyl-2-[[methyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]methyl]propane-1,3-diol
CID 110027589
methyl-[(4-propan-2-ylsulfanylphenyl)methyl]carbamothioic S-acid
CID 115170158
1-[benzyl(2-hydroxyethyl)amino]-3-methylbutan-2-one
CID 79395191
[4-[[ethyl(2-methylpropyl)amino]methyl]phenyl]methanol
CID 112631179
2-[ethyl(2-hydroxyethyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 82217024
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
2-[(3-chlorophenyl)methyl-ethylamino]ethanol
CID 60685456
3-[ethyl-[(4-phenylphenyl)methyl]amino]propan-1-ol
CID 115666478
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol (CID 110027526) is 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol is CCN(CCO)Cc1ccc(SC(C)C)cc1.
What is the InChIKey of 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol?
The InChIKey is IEUJDJQJVNOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-4-15(9-10-16)11-13-5-7-14(8-6-13)17-12(2)3/h5-8,12,16H,4,9-11H2,1-3H3.
What are the key properties of 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol?
2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol has a molecular weight of 253.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-propan-2-ylsulfanylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 110027526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).