N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

C14H23NS — CID 115664551

IUPACN-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NS/c1-11-6-7-13(8-12(11)2)9-15-10-14(3,4)16-5/h6-8,15H,9-10H2,1-5H3
InChIKeyJOXAMVTYPCLSDQ-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.53
Rot. Bonds5

About N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine

N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (PubChem CID 115664551) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
PubChem CID115664551
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC NameN-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
SMILESCSC(C)(C)CNCc1ccc(C)c(C)c1
InChIInChI=1S/C14H23NS/c1-11-6-7-13(8-12(11)2)9-15-10-14(3,4)16-5/h6-8,15H,9-10H2,1-5H3
InChIKeyJOXAMVTYPCLSDQ-UHFFFAOYSA-N
XLogP3.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

N-[(4-tert-butylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664548
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115968232
2-methyl-N-[(6-methyl-3-pyridinyl)methyl]-2-methylsulfanylpropan-1-amine
CID 104756449
N-[(3,4-dimethylphenyl)methyl]-2-methylsulfanylethanamine
CID 60658373
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-2-methylsulfanylpropan-1-amine
CID 113245808
4-[(3,4-dimethylphenyl)methylamino]-3,3-dimethylbutanoic acid
CID 115220316
1-(dimethylamino)-3-[(3,4-dimethylphenyl)methylamino]-2-methylpropan-2-ol
CID 103838996
2-[[(3,4-dimethylphenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 103845638
2-methyl-2-methylsulfanyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 103711426
N'-hydroxy-4-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]benzenecarboximidamide
CID 113478920
N-[(3-bromo-4-methylphenyl)methyl]-2,2-dimethylpropan-1-amine
CID 105401425
6-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075782

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine (CID 115664551) is N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is CSC(C)(C)CNCc1ccc(C)c(C)c1.
What is the InChIKey of N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
The InChIKey is JOXAMVTYPCLSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11-6-7-13(8-12(11)2)9-15-10-14(3,4)16-5/h6-8,15H,9-10H2,1-5H3.
What are the key properties of N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine?
N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115664551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).