1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine

C15H23NS — CID 114099622

IUPAC1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H23NS/c1-3-8-15(9-10-15)12-16-11-13-4-6-14(17-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLUAMEECUVUQZLJ-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.08
Rot. Bonds7

About 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine

1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine (PubChem CID 114099622) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
PubChem CID114099622
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC Name1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
SMILESCCCC1(CNCc2ccc(SC)cc2)CC1
InChIInChI=1S/C15H23NS/c1-3-8-15(9-10-15)12-16-11-13-4-6-14(17-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3
InChIKeyLUAMEECUVUQZLJ-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(4-methylsulfanylphenyl)methanamine
CID 115244133
1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 111114566
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
methyl 1-[[(4-methylsulfanylphenyl)methylamino]methyl]cyclopropane-1-carboxylate
CID 115247572
3-[[(4-methylsulfanylphenyl)methylamino]methyl]oxolan-3-ol
CID 103848331
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
1-(5-fluoro-3-pyridinyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 104953831
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine (CID 114099622) is 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine is CCCC1(CNCc2ccc(SC)cc2)CC1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
The InChIKey is LUAMEECUVUQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-8-15(9-10-15)12-16-11-13-4-6-14(17-2)7-5-13/h4-7,16H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine?
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine has a molecular weight of 249.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 114099622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).