2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine

C14H23NS — CID 63808063

IUPAC2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)9-15-10-13-5-7-14(8-6-13)16-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyONNPDKVGKCZTAO-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.93
Rot. Bonds6

About 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine

2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine (PubChem CID 63808063) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
PubChem CID63808063
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(SC(C)C)cc1
InChIInChI=1S/C14H23NS/c1-11(2)9-15-10-13-5-7-14(8-6-13)16-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3
InChIKeyONNPDKVGKCZTAO-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(4-propan-2-ylsulfanylphenyl)methylamino]propanoic acid
CID 115219449
N-[[4-(4-fluorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63806489
2-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]propan-1-amine
CID 29298157
2,3-dimethyl-1-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 114497087
4-[(4-propan-2-ylsulfanylphenyl)methylamino]butan-1-ol
CID 115217612
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-[[4-(2-bromophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63808350
N-[[4-(2-chlorophenyl)sulfanylphenyl]methyl]-2-methylpropan-1-amine
CID 63805959
2-[4-[(2-methylpropylamino)methyl]phenyl]sulfanylacetamide
CID 113384918
2-methyl-N-[[4-(2-methylfuran-3-yl)sulfanylphenyl]methyl]propan-1-amine
CID 107783303
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine (CID 63808063) is 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine is CC(C)CNCc1ccc(SC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine?
The InChIKey is ONNPDKVGKCZTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-11(2)9-15-10-13-5-7-14(8-6-13)16-12(3)4/h5-8,11-12,15H,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine?
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine has a molecular weight of 237.41 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 63808063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).