3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol

C16H21NOS — CID 43723051

IUPAC3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCC(NC(c1cccs1)C(C)C)c1cccc(O)c1
InChIInChI=1S/C16H21NOS/c1-11(2)16(15-8-5-9-19-15)17-12(3)13-6-4-7-14(18)10-13/h4-12,16-18H,1-3H3
InChIKeyBDAAQYBWIZRSMV-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.50
Rot. Bonds5

About 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol

3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol (PubChem CID 43723051) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
PubChem CID43723051
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
SMILESCC(NC(c1cccs1)C(C)C)c1cccc(O)c1
InChIInChI=1S/C16H21NOS/c1-11(2)16(15-8-5-9-19-15)17-12(3)13-6-4-7-14(18)10-13/h4-12,16-18H,1-3H3
InChIKeyBDAAQYBWIZRSMV-UHFFFAOYSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 81382664
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
3-[1-[[1-(4-fluorophenyl)-2-methylpropyl]amino]ethyl]phenol
CID 43685504
3-(dithiophen-2-ylmethyl)phenol
CID 46201100
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
5-methyl-2-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol
CID 43722930
3-[1-[1-(3-bromothiophen-2-yl)ethylamino]ethyl]phenol
CID 43791633
3-[(S)-amino(thiophen-2-yl)methyl]phenol
CID 130870806
3-[1-[1-(5-methylthiophen-2-yl)ethylamino]ethyl]phenol
CID 43748540
3-[1-[1-(3-bromophenyl)ethylamino]ethyl]phenol
CID 43673297
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The IUPAC name of 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol (CID 43723051) is 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The canonical SMILES for 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol is CC(NC(c1cccs1)C(C)C)c1cccc(O)c1.
What is the InChIKey of 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
The InChIKey is BDAAQYBWIZRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-11(2)16(15-8-5-9-19-15)17-12(3)13-6-4-7-14(18)10-13/h4-12,16-18H,1-3H3.
What are the key properties of 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol?
3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol has a molecular weight of 275.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-methyl-1-thiophen-2-ylpropyl)amino]ethyl]phenol is sourced from PubChem (CID 43723051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).