2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol

C16H21NOS — CID 80525988

IUPAC2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCC(NCC(C)(C)c1cccs1)c1ccccc1O
InChIInChI=1S/C16H21NOS/c1-12(13-7-4-5-8-14(13)18)17-11-16(2,3)15-9-6-10-19-15/h4-10,12,17-18H,11H2,1-3H3
InChIKeySDQVFGQIAKTWDG-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.08
Rot. Bonds5

About 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol

2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol (PubChem CID 80525988) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
PubChem CID80525988
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCC(NCC(C)(C)c1cccs1)c1ccccc1O
InChIInChI=1S/C16H21NOS/c1-12(13-7-4-5-8-14(13)18)17-11-16(2,3)15-9-6-10-19-15/h4-10,12,17-18H,11H2,1-3H3
InChIKeySDQVFGQIAKTWDG-UHFFFAOYSA-N
XLogP4.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2,5-dichlorophenyl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526104
N-(2-methyl-2-thiophen-2-ylpropyl)-4-phenylbutan-2-amine
CID 78963724
N-(2-methyl-2-thiophen-2-ylpropyl)pentan-3-amine
CID 80526217
N-[1-(5-ethylthiophen-2-yl)ethyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80525978
4-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]benzonitrile
CID 79040855
3-[1-(2-hydroxyphenyl)ethylamino]-2-methylpropane-1,2-diol
CID 66171279
2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-N-phenylpropanamide
CID 78963148
2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526182
N-(2-methylpropyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963769
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
1-(2-chlorophenyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethanol
CID 80526598
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylbutan-1-amine
CID 80526209

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol (CID 80525988) is 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol is CC(NCC(C)(C)c1cccs1)c1ccccc1O.
What is the InChIKey of 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol?
The InChIKey is SDQVFGQIAKTWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12(13-7-4-5-8-14(13)18)17-11-16(2,3)15-9-6-10-19-15/h4-10,12,17-18H,11H2,1-3H3.
What are the key properties of 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol?
2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol has a molecular weight of 275.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-2-thiophen-2-ylpropyl)amino]ethyl]phenol is sourced from PubChem (CID 80525988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).