2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol

C18H25NOS — CID 103717092

IUPAC2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCC(NCC(O)c1ccsc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NOS/c1-13(19-11-17(20)15-9-10-21-12-15)14-5-7-16(8-6-14)18(2,3)4/h5-10,12-13,17,19-20H,11H2,1-4H3
InChIKeyBOALKDSCJDNXSU-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.43
Rot. Bonds5

About 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol

2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 103717092) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
PubChem CID103717092
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCC(NCC(O)c1ccsc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H25NOS/c1-13(19-11-17(20)15-9-10-21-12-15)14-5-7-16(8-6-14)18(2,3)4/h5-10,12-13,17,19-20H,11H2,1-4H3
InChIKeyBOALKDSCJDNXSU-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103881398
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
(2S)-1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propan-2-ol
CID 106435263
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
2,2-dimethyl-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62090002
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol (CID 103717092) is 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol is CC(NCC(O)c1ccsc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is BOALKDSCJDNXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NOS/c1-13(19-11-17(20)15-9-10-21-12-15)14-5-7-16(8-6-14)18(2,3)4/h5-10,12-13,17,19-20H,11H2,1-4H3.
What are the key properties of 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol?
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 303.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103717092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).