4-(4-methylsulfanylphenyl)butan-1-amine

C11H17NS — CID 10559771

IUPAC4-(4-methylsulfanylphenyl)butan-1-amine
SMILESCSc1ccc(CCCCN)cc1
InChIInChI=1S/C11H17NS/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9,12H2,1H3
InChIKeyTUIDNWCEYJVUQV-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.69
Rot. Bonds5

About 4-(4-methylsulfanylphenyl)butan-1-amine

4-(4-methylsulfanylphenyl)butan-1-amine (PubChem CID 10559771) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4-(4-methylsulfanylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methylsulfanylphenyl)butan-1-amine
PubChem CID10559771
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4-(4-methylsulfanylphenyl)butan-1-amine
SMILESCSc1ccc(CCCCN)cc1
InChIInChI=1S/C11H17NS/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9,12H2,1H3
InChIKeyTUIDNWCEYJVUQV-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
4-(4-propylsulfanylphenyl)butan-1-amine
CID 83935745
1-(3-bromopropyl)-4-methylsulfanylbenzene
CID 53433990
2-[4-(4-methylsulfanylphenoxy)phenyl]ethanamine
CID 63801985
5-(4-methylsulfanylphenyl)pentanal
CID 98014049
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
6-(4-propylphenyl)hexan-1-amine
CID 65300510
2-methyl-6-(4-methylsulfanylphenyl)hexan-2-ol
CID 98015312
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
4-[4-[2-(dimethylamino)ethyl]phenyl]butan-1-amine
CID 117314930
4-[4-(4-methylpentyl)phenyl]butan-1-amine
CID 143596731

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylphenyl)butan-1-amine?
The IUPAC name of 4-(4-methylsulfanylphenyl)butan-1-amine (CID 10559771) is 4-(4-methylsulfanylphenyl)butan-1-amine.
What is the SMILES notation for 4-(4-methylsulfanylphenyl)butan-1-amine?
The canonical SMILES for 4-(4-methylsulfanylphenyl)butan-1-amine is CSc1ccc(CCCCN)cc1.
What is the InChIKey of 4-(4-methylsulfanylphenyl)butan-1-amine?
The InChIKey is TUIDNWCEYJVUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-13-11-7-5-10(6-8-11)4-2-3-9-12/h5-8H,2-4,9,12H2,1H3.
What are the key properties of 4-(4-methylsulfanylphenyl)butan-1-amine?
4-(4-methylsulfanylphenyl)butan-1-amine has a molecular weight of 195.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylphenyl)butan-1-amine is sourced from PubChem (CID 10559771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).