2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol

C16H19NO2S — CID 43743729

IUPAC2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
SMILESCOc1ccc(NC(C)c2ccc(SC)cc2)cc1O
InChIInChI=1S/C16H19NO2S/c1-11(12-4-7-14(20-3)8-5-12)17-13-6-9-16(19-2)15(18)10-13/h4-11,17-18H,1-3H3
InChIKeyAUYXPCVTTONUNO-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.30
Rot. Bonds5

About 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol

2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol (PubChem CID 43743729) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol.

Molecular Properties

Compound Name2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
PubChem CID43743729
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol
SMILESCOc1ccc(NC(C)c2ccc(SC)cc2)cc1O
InChIInChI=1S/C16H19NO2S/c1-11(12-4-7-14(20-3)8-5-12)17-13-6-9-16(19-2)15(18)10-13/h4-11,17-18H,1-3H3
InChIKeyAUYXPCVTTONUNO-UHFFFAOYSA-N
XLogP4.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777
2-methoxy-5-(1-thiophen-3-ylethylamino)phenol
CID 62090337
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
2-methoxy-5-(3-methylbutan-2-ylamino)phenol
CID 43743784
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
N-[1-(3,4-dimethoxyphenyl)ethyl]-3,4-dimethoxyaniline
CID 46021712
[(1R,2R)-4-hydroxy-1-(3-hydroxy-4-methoxyphenyl)-2-methylbutyl] N-(4-methylsulfanylphenyl)carbamate
CID 23863412
3-bromo-4-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 104776069
N-[1-(4-iodophenyl)ethyl]-3,4-dimethoxyaniline
CID 43759998
4-[1-(4-fluoroanilino)ethyl]-2-methoxyphenol
CID 43194672
5-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-methoxyphenol
CID 43743593
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol?
The IUPAC name of 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol (CID 43743729) is 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol.
What is the SMILES notation for 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol?
The canonical SMILES for 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol is COc1ccc(NC(C)c2ccc(SC)cc2)cc1O.
What is the InChIKey of 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol?
The InChIKey is AUYXPCVTTONUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11(12-4-7-14(20-3)8-5-12)17-13-6-9-16(19-2)15(18)10-13/h4-11,17-18H,1-3H3.
What are the key properties of 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol?
2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol has a molecular weight of 289.40 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[1-(4-methylsulfanylphenyl)ethylamino]phenol is sourced from PubChem (CID 43743729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).