4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol

C14H21NOS — CID 107270122

IUPAC4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
SMILESCSC1(CNC(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C14H21NOS/c1-10-4-5-13(16)12(8-10)11(2)15-9-14(17-3)6-7-14/h4-5,8,11,15-16H,6-7,9H2,1-3H3
InChIKeyKNONXJBDGOKVRS-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.25
Rot. Bonds5

About 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol

4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol (PubChem CID 107270122) has the molecular formula C14H21NOS and a molecular weight of 251.40 g/mol. Its IUPAC name is 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
PubChem CID107270122
Molecular FormulaC14H21NOS
Molecular Weight251.40 g/mol
Exact Mass251.13
IUPAC Name4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol
SMILESCSC1(CNC(C)c2cc(C)ccc2O)CC1
InChIInChI=1S/C14H21NOS/c1-10-4-5-13(16)12(8-10)11(2)15-9-14(17-3)6-7-14/h4-5,8,11,15-16H,6-7,9H2,1-3H3
InChIKeyKNONXJBDGOKVRS-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.25
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

1-(2,4-dimethylphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270109
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
1-(2,5-dimethylfuran-3-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270073
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65117008
3-[1-(2-hydroxy-5-methylphenyl)ethylamino]propane-1,2-diol
CID 66175463
1-(2,3-difluorophenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107269897
4-methyl-2-[(1R)-1-(methylamino)ethyl]phenol
CID 55277105
4-methyl-2-[1-(methylamino)ethyl]phenol
CID 43504566
2-[1-(2-methoxypropylamino)ethyl]-4-methylphenol
CID 102696431
2-[1-[(1-hydroxycyclobutyl)methylamino]ethyl]-5-methylphenol
CID 104582377
2-[1-(2,3-dimethoxypropylamino)ethyl]-4-methylphenol
CID 104584185

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol?
The IUPAC name of 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol (CID 107270122) is 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol.
What is the SMILES notation for 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol?
The canonical SMILES for 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol is CSC1(CNC(C)c2cc(C)ccc2O)CC1.
What is the InChIKey of 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol?
The InChIKey is KNONXJBDGOKVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-10-4-5-13(16)12(8-10)11(2)15-9-14(17-3)6-7-14/h4-5,8,11,15-16H,6-7,9H2,1-3H3.
What are the key properties of 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol?
4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol has a molecular weight of 251.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[1-[(1-methylsulfanylcyclopropyl)methylamino]ethyl]phenol is sourced from PubChem (CID 107270122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).