1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine

C14H23NS — CID 65131827

IUPAC1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCc1ccc(CC(N)CSC(C)C)cc1C
InChIInChI=1S/C14H23NS/c1-10(2)16-9-14(15)8-13-6-5-11(3)12(4)7-13/h5-7,10,14H,8-9,15H2,1-4H3
InChIKeyYGRKJNMGCWIWIJ-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.31
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine

1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine (PubChem CID 65131827) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
PubChem CID65131827
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
SMILESCc1ccc(CC(N)CSC(C)C)cc1C
InChIInChI=1S/C14H23NS/c1-10(2)16-9-14(15)8-13-6-5-11(3)12(4)7-13/h5-7,10,14H,8-9,15H2,1-4H3
InChIKeyYGRKJNMGCWIWIJ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65132105
1-(3-bromophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66160000
1-(3-chlorophenyl)sulfanyl-3-(3,4-dimethylphenyl)propan-2-amine
CID 66146632
1,2-dimethyl-4-(2-methylpropyl)benzene;methane
CID 143912284
1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
2-(3,4-dimethylphenyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 63522355
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(3,4-dimethylphenyl)-3-methoxybutan-2-amine
CID 79615957
1-(3,4-dimethylphenyl)propan-2-amine;sulfuric acid
CID 23619205
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
(2S)-4-(3,4-dimethylphenyl)butan-2-amine
CID 42077524

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine (CID 65131827) is 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine is Cc1ccc(CC(N)CSC(C)C)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
The InChIKey is YGRKJNMGCWIWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-10(2)16-9-14(15)8-13-6-5-11(3)12(4)7-13/h5-7,10,14H,8-9,15H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine?
1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine has a molecular weight of 237.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-propan-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 65131827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).