1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

C15H19NOS — CID 61436988

IUPAC1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCCN(Cc1cccs1)c1ccccc1C(C)O
InChIInChI=1S/C15H19NOS/c1-3-16(11-13-7-6-10-18-13)15-9-5-4-8-14(15)12(2)17/h4-10,12,17H,3,11H2,1-2H3
InChIKeySMSXHUJQDUBIAD-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.83
Rot. Bonds5

About 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol

1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (PubChem CID 61436988) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
PubChem CID61436988
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
SMILESCCN(Cc1cccs1)c1ccccc1C(C)O
InChIInChI=1S/C15H19NOS/c1-3-16(11-13-7-6-10-18-13)15-9-5-4-8-14(15)12(2)17/h4-10,12,17H,3,11H2,1-2H3
InChIKeySMSXHUJQDUBIAD-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
N-ethyl-2-[1-(ethylamino)propyl]-N-(thiophen-2-ylmethyl)aniline
CID 115994976
(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
(1R)-1-[3-bromo-4-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78940163
(1R)-1-[2-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 55183202
(1S)-1-[2-[ethyl(2-methylbutyl)amino]phenyl]ethanol
CID 79477163
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
1-[N-ethyl-2-[(1S)-1-hydroxyethyl]anilino]-2-methylpropan-2-ol
CID 79386990
N-ethyl-2-(propylaminomethyl)-N-(thiophen-2-ylmethyl)aniline
CID 61437944
(1R)-1-[2-[2-ethoxyethyl(ethyl)amino]phenyl]ethanol
CID 55226911
(1S)-1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanol
CID 78951125

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The IUPAC name of 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol (CID 61436988) is 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The canonical SMILES for 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is CCN(Cc1cccs1)c1ccccc1C(C)O.
What is the InChIKey of 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
The InChIKey is SMSXHUJQDUBIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-3-16(11-13-7-6-10-18-13)15-9-5-4-8-14(15)12(2)17/h4-10,12,17H,3,11H2,1-2H3.
What are the key properties of 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol?
1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol has a molecular weight of 261.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(thiophen-2-ylmethyl)amino]phenyl]ethanol is sourced from PubChem (CID 61436988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).