2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine

C14H21NS — CID 105005378

IUPAC2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccccc1SC
InChIInChI=1S/C14H21NS/c1-5-10-15-14(11(2)3)12-8-6-7-9-13(12)16-4/h6-9,14-15H,2,5,10H2,1,3-4H3
InChIKeyRIPYSHCUWOTDPO-UHFFFAOYSA-N
MW235.40 g/mol
LogP4.03
Rot. Bonds6

About 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine

2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine (PubChem CID 105005378) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
PubChem CID105005378
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)c1ccccc1SC
InChIInChI=1S/C14H21NS/c1-5-10-15-14(11(2)3)12-8-6-7-9-13(12)16-4/h6-9,14-15H,2,5,10H2,1,3-4H3
InChIKeyRIPYSHCUWOTDPO-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177951
1-(3-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005563
1-(2,4-dimethylphenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005528
N-[(2-chlorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115801336
2-methyl-N-propyl-1-quinolin-5-ylprop-2-en-1-amine
CID 105163698
N-[(4-fluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 79214264
N-[(2,6-difluorophenyl)-(2-methylsulfanylphenyl)methyl]propan-1-amine
CID 115859835
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
N-ethyl-4-methyl-1-(2-methylsulfanylphenyl)pent-4-en-1-amine
CID 105039440
1-(4-bromo-2-chlorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 105005047
2-methyl-N-propyl-1-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105005165
N-[2-(4-chlorophenyl)-1-(2-methylsulfanylphenyl)ethyl]propan-1-amine
CID 79213464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine (CID 105005378) is 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1ccccc1SC.
What is the InChIKey of 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine?
The InChIKey is RIPYSHCUWOTDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-5-10-15-14(11(2)3)12-8-6-7-9-13(12)16-4/h6-9,14-15H,2,5,10H2,1,3-4H3.
What are the key properties of 2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine?
2-methyl-1-(2-methylsulfanylphenyl)-N-propylprop-2-en-1-amine has a molecular weight of 235.40 g/mol, XLogP of 4.03, 6 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)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).