N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline

C14H25NOS — CID 89370470

IUPACN-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline
SMILESCON(c1ccc(C)cc1)C(C)(C)S(C)(C)C
InChIInChI=1S/C14H25NOS/c1-12-8-10-13(11-9-12)15(16-4)14(2,3)17(5,6)7/h8-11H,1-7H3
InChIKeyFGXXYTLBRFBHOW-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.79
Rot. Bonds4

About N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline

N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline (PubChem CID 89370470) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline.

Molecular Properties

Compound NameN-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline
PubChem CID89370470
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline
SMILESCON(c1ccc(C)cc1)C(C)(C)S(C)(C)C
InChIInChI=1S/C14H25NOS/c1-12-8-10-13(11-9-12)15(16-4)14(2,3)17(5,6)7/h8-11H,1-7H3
InChIKeyFGXXYTLBRFBHOW-UHFFFAOYSA-N
XLogP3.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-(4-methylphenyl)methanesulfonamide
CID 166448658
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
N,N-bis[2-(4-tert-butylphenyl)propan-2-yl]-4-methylaniline
CID 126747851
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
N,4-dimethyl-N-methyliodanuidylaniline
CID 156828548
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287

Frequently Asked Questions

What is the IUPAC name of N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline?
The IUPAC name of N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline (CID 89370470) is N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline.
What is the SMILES notation for N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline?
The canonical SMILES for N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline is CON(c1ccc(C)cc1)C(C)(C)S(C)(C)C.
What is the InChIKey of N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline?
The InChIKey is FGXXYTLBRFBHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-12-8-10-13(11-9-12)15(16-4)14(2,3)17(5,6)7/h8-11H,1-7H3.
What are the key properties of N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline?
N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline has a molecular weight of 255.43 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline is sourced from PubChem (CID 89370470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).