4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol

C15H19NOS — CID 65246414

IUPAC4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
SMILESCc1cc(CNC(C)c2ccc(O)cc2)sc1C
InChIInChI=1S/C15H19NOS/c1-10-8-15(18-12(10)3)9-16-11(2)13-4-6-14(17)7-5-13/h4-8,11,16-17H,9H2,1-3H3
InChIKeyGEWHMKIXWSVYLS-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.92
Rot. Bonds4

About 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol

4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol (PubChem CID 65246414) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
PubChem CID65246414
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol
SMILESCc1cc(CNC(C)c2ccc(O)cc2)sc1C
InChIInChI=1S/C15H19NOS/c1-10-8-15(18-12(10)3)9-16-11(2)13-4-6-14(17)7-5-13/h4-8,11,16-17H,9H2,1-3H3
InChIKeyGEWHMKIXWSVYLS-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenyl]urea
CID 65246401
1-(3,4-dichlorophenyl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 65246502
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-3-fluorophenol
CID 107715200
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 65246342
4-[1-[(5-ethylthiophen-2-yl)methylamino]ethyl]phenol
CID 114136812
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylpentan-2-amine
CID 65246415
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102613006
1-(4-bromothiophen-2-yl)-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 107167584
(1S)-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 102836706
2-[(4,5-dimethylthiophen-2-yl)methylamino]-N-methylpropanamide
CID 65244115

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol?
The IUPAC name of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol (CID 65246414) is 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol?
The canonical SMILES for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol is Cc1cc(CNC(C)c2ccc(O)cc2)sc1C.
What is the InChIKey of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol?
The InChIKey is GEWHMKIXWSVYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-8-15(18-12(10)3)9-16-11(2)13-4-6-14(17)7-5-13/h4-8,11,16-17H,9H2,1-3H3.
What are the key properties of 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol?
4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol has a molecular weight of 261.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]phenol is sourced from PubChem (CID 65246414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).