2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol

C18H25NOS — CID 103785241

IUPAC2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
SMILESCC(C)Cc1ccc(C(C)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H25NOS/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-11-18(20)17-8-9-21-12-17/h4-9,12-14,18-20H,10-11H2,1-3H3
InChIKeyKKNOTVYVPLHPCV-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.33
Rot. Bonds7

About 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol (PubChem CID 103785241) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
PubChem CID103785241
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
SMILESCC(C)Cc1ccc(C(C)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C18H25NOS/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-11-18(20)17-8-9-21-12-17/h4-9,12-14,18-20H,10-11H2,1-3H3
InChIKeyKKNOTVYVPLHPCV-UHFFFAOYSA-N
XLogP4.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
N-[[4-(2-methylpropyl)phenyl]-thiophen-3-ylmethyl]ethanamine
CID 43488230
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol (CID 103785241) is 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol is CC(C)Cc1ccc(C(C)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is KKNOTVYVPLHPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13(2)10-15-4-6-16(7-5-15)14(3)19-11-18(20)17-8-9-21-12-17/h4-9,12-14,18-20H,10-11H2,1-3H3.
What are the key properties of 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol?
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 303.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103785241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).