1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine

C14H23NS — CID 63819680

IUPAC1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(SC(C)C)cc1C
InChIInChI=1S/C14H23NS/c1-5-13(15)9-12-6-7-14(8-11(12)4)16-10(2)3/h6-8,10,13H,5,9,15H2,1-4H3
InChIKeyMTLBRALPDXXVGC-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.78
Rot. Bonds5

About 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine

1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine (PubChem CID 63819680) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
PubChem CID63819680
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
SMILESCCC(N)Cc1ccc(SC(C)C)cc1C
InChIInChI=1S/C14H23NS/c1-5-13(15)9-12-6-7-14(8-11(12)4)16-10(2)3/h6-8,10,13H,5,9,15H2,1-4H3
InChIKeyMTLBRALPDXXVGC-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine
CID 107762435
1-[4-(4-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63819825
1-[4-(3-bromophenyl)sulfanyl-2-methylphenyl]butan-2-amine
CID 63818846
1-(2-methyl-4-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239873
1-[2-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]butan-2-amine
CID 63819970
1-[2-methyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819439
1-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
4-(2-aminobutyl)-N,3-dimethyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115988039
4-(2-aminobutyl)-3-methyl-N,N-dipropylaniline
CID 63786915
1-[2-methyl-4-(3-propan-2-ylpyrazol-1-yl)phenyl]butan-2-amine
CID 63816771
4-[(2S)-butan-2-yl]sulfanyl-2-methylaniline
CID 51684097
1-[4-(4-chlorophenoxy)-2-methylphenyl]butan-2-amine
CID 63802763

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine?
The IUPAC name of 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine (CID 63819680) is 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine is CCC(N)Cc1ccc(SC(C)C)cc1C.
What is the InChIKey of 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine?
The InChIKey is MTLBRALPDXXVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-5-13(15)9-12-6-7-14(8-11(12)4)16-10(2)3/h6-8,10,13H,5,9,15H2,1-4H3.
What are the key properties of 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine?
1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine is sourced from PubChem (CID 63819680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).