methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine

C12H21NOS — CID 142425676

IUPACmethanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCO.CSNCc1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NS.CH4O/c1-9(2)11-6-4-10(5-7-11)8-12-13-3;1-2/h4-7,9,12H,8H2,1-3H3;2H,1H3
InChIKeyZTYPNTRYZJYJGW-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.79
Rot. Bonds4

About methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine

methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 142425676) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Namemethanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID142425676
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Namemethanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCO.CSNCc1ccc(C(C)C)cc1
InChIInChI=1S/C11H17NS.CH4O/c1-9(2)11-6-4-10(5-7-11)8-12-13-3;1-2/h4-7,9,12H,8H2,1-3H3;2H,1H3
InChIKeyZTYPNTRYZJYJGW-UHFFFAOYSA-N
XLogP2.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
1-[(4-propan-2-ylphenyl)methylamino]propan-2-ol
CID 4723365
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 59487519
N-[(4-propan-2-ylphenyl)methyl]carbamoyl chloride
CID 115194584
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
1-methyl-3-[(4-propan-2-ylphenyl)methyl]thiourea
CID 115591677
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
5-methylsulfanyl-N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine
CID 114126756
1-chloro-4-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106353872

Frequently Asked Questions

What is the IUPAC name of methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine (CID 142425676) is methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine is CO.CSNCc1ccc(C(C)C)cc1.
What is the InChIKey of methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is ZTYPNTRYZJYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS.CH4O/c1-9(2)11-6-4-10(5-7-11)8-12-13-3;1-2/h4-7,9,12H,8H2,1-3H3;2H,1H3.
What are the key properties of methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine?
methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 227.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;N-methylsulfanyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 142425676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).