1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine

C16H27NS — CID 107762435

IUPAC1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine
SMILESCCC(C)CSc1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C16H27NS/c1-5-12(3)11-18-16-8-7-14(13(4)9-16)10-15(17)6-2/h7-9,12,15H,5-6,10-11,17H2,1-4H3
InChIKeyRNZNKLAZMQMQGI-UHFFFAOYSA-N
MW265.47 g/mol
LogP4.41
Rot. Bonds7

About 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine

1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine (PubChem CID 107762435) has the molecular formula C16H27NS and a molecular weight of 265.47 g/mol. Its IUPAC name is 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine
PubChem CID107762435
Molecular FormulaC16H27NS
Molecular Weight265.47 g/mol
Exact Mass265.19
IUPAC Name1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine
SMILESCCC(C)CSc1ccc(CC(N)CC)c(C)c1
InChIInChI=1S/C16H27NS/c1-5-12(3)11-18-16-8-7-14(13(4)9-16)10-15(17)6-2/h7-9,12,15H,5-6,10-11,17H2,1-4H3
InChIKeyRNZNKLAZMQMQGI-UHFFFAOYSA-N
XLogP4.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-4-propan-2-ylsulfanylphenyl)butan-2-amine
CID 63819680
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-(4-ethoxy-2-methylphenyl)butan-2-amine
CID 13209708
1-(2-methyl-4-pyridin-2-ylsulfanylphenyl)butan-2-amine
CID 55239873
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
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
3-(4-amino-3-methylphenyl)sulfanyl-2-methylpropan-1-ol
CID 66103746
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-methylphenyl)methylsulfanyl]phenyl]propan-2-amine
CID 63819534

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine (CID 107762435) is 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine is CCC(C)CSc1ccc(CC(N)CC)c(C)c1.
What is the InChIKey of 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine?
The InChIKey is RNZNKLAZMQMQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NS/c1-5-12(3)11-18-16-8-7-14(13(4)9-16)10-15(17)6-2/h7-9,12,15H,5-6,10-11,17H2,1-4H3.
What are the key properties of 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine?
1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine has a molecular weight of 265.47 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(2-methylbutylsulfanyl)phenyl]butan-2-amine is sourced from PubChem (CID 107762435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).