2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine

C14H23NS — CID 63804855

IUPAC2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
SMILESCCCSc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-5-10-16-13-8-6-12(7-9-13)11-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyFZLMCTZXHDZAIH-UHFFFAOYSA-N
MW237.41 g/mol
LogP4.08
Rot. Bonds5

About 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine

2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 63804855) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
PubChem CID63804855
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine
SMILESCCCSc1ccc(CNC(C)(C)C)cc1
InChIInChI=1S/C14H23NS/c1-5-10-16-13-8-6-12(7-9-13)11-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3
InChIKeyFZLMCTZXHDZAIH-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63806927
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2-methylpropan-2-ol
CID 113384910
3-[[4-[(tert-butylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497082
N-[(3-fluoro-4-propylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 63806767
1-[4-[(tert-butylamino)methyl]phenyl]sulfanyl-2,3-dimethylbutan-2-ol
CID 114497084
1-tert-butyl-4-propylsulfanylbenzene
CID 86200196
ethyl 2-[4-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 63808211
N-[[4-(3,3-dimethylbutylsulfanyl)phenyl]methyl]propan-1-amine
CID 113384839
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]thiohydroxylamine
CID 155479405
2-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]propan-2-amine
CID 59597807
2-methyl-N-[(3-octylsulfanylphenyl)methyl]propan-2-amine
CID 66349477

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine (CID 63804855) is 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine is CCCSc1ccc(CNC(C)(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is FZLMCTZXHDZAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-10-16-13-8-6-12(7-9-13)11-15-14(2,3)4/h6-9,15H,5,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine?
2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63804855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).