4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol

C15H23NOS — CID 113240107

IUPAC4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCCC1NCc1cc(C)ccc1O
InChIInChI=1S/C15H23NOS/c1-11-7-8-14(17)12(9-11)10-16-13-5-3-4-6-15(13)18-2/h7-9,13,15-17H,3-6,10H2,1-2H3
InChIKeyCNJNTASAWHGWTR-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.46
Rot. Bonds4

About 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol

4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol (PubChem CID 113240107) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
PubChem CID113240107
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
SMILESCSC1CCCCC1NCc1cc(C)ccc1O
InChIInChI=1S/C15H23NOS/c1-11-7-8-14(17)12(9-11)10-16-13-5-3-4-6-15(13)18-2/h7-9,13,15-17H,3-6,10H2,1-2H3
InChIKeyCNJNTASAWHGWTR-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.46
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-[(2,5-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701269
2-chloro-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 103923196
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499
4-chloro-2-methoxy-6-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol
CID 104646371
2-[(cyclohex-2-en-1-ylamino)methyl]-4-methylphenol
CID 115693427
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylsulfanylcyclohexan-1-amine
CID 103776706
4-methyl-2-[(3-tricyclo[3.2.1.02,4]octanylamino)methyl]phenol
CID 114095624
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103701214
2-[(2-cyclopentylethylamino)methyl]-4-methylphenol
CID 63324647
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylsulfanylcyclopentan-1-amine
CID 103793218
methyl 2-[[(2-methylsulfanylcyclohexyl)amino]methyl]benzoate
CID 103923201

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol (CID 113240107) is 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol is CSC1CCCCC1NCc1cc(C)ccc1O.
What is the InChIKey of 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
The InChIKey is CNJNTASAWHGWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-11-7-8-14(17)12(9-11)10-16-13-5-3-4-6-15(13)18-2/h7-9,13,15-17H,3-6,10H2,1-2H3.
What are the key properties of 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol?
4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol has a molecular weight of 265.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2-methylsulfanylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 113240107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).