2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine

C13H21NS — CID 107893622

IUPAC2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1SC
InChIInChI=1S/C13H21NS/c1-4-7-10(2)13(14)11-8-5-6-9-12(11)15-3/h5-6,8-10,13H,4,7,14H2,1-3H3
InChIKeyKQJXKHRIKAPXQL-UHFFFAOYSA-N
MW223.38 g/mol
LogP3.84
Rot. Bonds5

About 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine

2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine (PubChem CID 107893622) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine
PubChem CID107893622
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine
SMILESCCCC(C)C(N)c1ccccc1SC
InChIInChI=1S/C13H21NS/c1-4-7-10(2)13(14)11-8-5-6-9-12(11)15-3/h5-6,8-10,13H,4,7,14H2,1-3H3
InChIKeyKQJXKHRIKAPXQL-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylphenyl)pentan-1-amine
CID 115794811
1-(2-ethoxyphenyl)-2-methylpentan-1-amine
CID 115853638
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
1-[2-(2-methoxyethoxy)phenyl]-2-methylpentan-1-amine
CID 105035286
1-(2-methylsulfanylphenyl)heptan-1-ol
CID 115783455
1-(4-bromo-2-fluorophenyl)-2-methylpentan-1-amine
CID 107893441
1-(2,3-dimethoxyphenyl)-2-methylpentan-1-amine
CID 114013501
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039765
2-methyl-1-(4-phenylphenyl)pentan-1-amine
CID 43094240
2-methyl-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115840237
ethyl 2,3-dihydroxy-3-(2-methylsulfanylphenyl)propanoate
CID 171865642

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine?
The IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine (CID 107893622) is 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine is CCCC(C)C(N)c1ccccc1SC.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine?
The InChIKey is KQJXKHRIKAPXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-7-10(2)13(14)11-8-5-6-9-12(11)15-3/h5-6,8-10,13H,4,7,14H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine?
2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylsulfanylphenyl)pentan-1-amine is sourced from PubChem (CID 107893622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).