methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol

C11H17NOS — CID 130456832

IUPACmethylamino-[4-(1-methylsulfanylethyl)phenyl]methanol
SMILESCNC(O)c1ccc(C(C)SC)cc1
InChIInChI=1S/C11H17NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8,11-13H,1-3H3
InChIKeyNCOFOHOPEPIQCM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.32
Rot. Bonds4

About methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol

methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol (PubChem CID 130456832) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol.

Molecular Properties

Compound Namemethylamino-[4-(1-methylsulfanylethyl)phenyl]methanol
PubChem CID130456832
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Namemethylamino-[4-(1-methylsulfanylethyl)phenyl]methanol
SMILESCNC(O)c1ccc(C(C)SC)cc1
InChIInChI=1S/C11H17NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8,11-13H,1-3H3
InChIKeyNCOFOHOPEPIQCM-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methylamino-(4-propan-2-ylphenyl)methanol
CID 116954610
1-(1-methylsulfanylethyl)-4-propan-2-ylbenzene
CID 154539866
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
cyclodecapentaenyl(methylamino)methanol
CID 129203731
(4-ethoxyphenyl)-(methylamino)methanol
CID 116954646
4-[(R)-hydroxy(methylamino)methyl]benzene-1,2-diol
CID 58060681
(4-methoxy-3-propan-2-ylphenyl)-(methylamino)methanol
CID 116954636
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
3-[hydroxy(methylamino)methyl]phenol
CID 14302211
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(6-methoxynaphthalen-2-yl)-(methylamino)methanol
CID 116954754
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
CID 149183279

Frequently Asked Questions

What is the IUPAC name of methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol?
The IUPAC name of methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol (CID 130456832) is methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol.
What is the SMILES notation for methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol?
The canonical SMILES for methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol is CNC(O)c1ccc(C(C)SC)cc1.
What is the InChIKey of methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol?
The InChIKey is NCOFOHOPEPIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-8(14-3)9-4-6-10(7-5-9)11(13)12-2/h4-8,11-13H,1-3H3.
What are the key properties of methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol?
methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol has a molecular weight of 211.33 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino-[4-(1-methylsulfanylethyl)phenyl]methanol is sourced from PubChem (CID 130456832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).