2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine

C13H21NS — CID 116924750

IUPAC2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC(CN)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)15-13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyIPVLKKHGGMNTGQ-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.32
Rot. Bonds5

About 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine

2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine (PubChem CID 116924750) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
PubChem CID116924750
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
SMILESCC(CN)Cc1ccc(SC(C)C)cc1
InChIInChI=1S/C13H21NS/c1-10(2)15-13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11H,8-9,14H2,1-3H3
InChIKeyIPVLKKHGGMNTGQ-UHFFFAOYSA-N
XLogP3.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-3-phenylpropan-1-amine
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4-(3-amino-2-methylpropyl)phenol;ethane
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ethane;2-methyl-3-phenylpropan-1-amine
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2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
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3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-2-methylpropan-1-amine
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(2R)-2-methyl-3-(4-nitrophenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine (CID 116924750) is 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine is CC(CN)Cc1ccc(SC(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
The InChIKey is IPVLKKHGGMNTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-10(2)15-13-6-4-12(5-7-13)8-11(3)9-14/h4-7,10-11H,8-9,14H2,1-3H3.
What are the key properties of 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine?
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine has a molecular weight of 223.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 116924750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).