1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C14H21NO2S — CID 107267384

IUPAC1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCOc1ccc(CNCC2(SC)CC2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-16-12-5-4-11(13(8-12)17-2)9-15-10-14(18-3)6-7-14/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyNBPHDDBNJNJBKE-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267384) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267384
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCOc1ccc(CNCC2(SC)CC2)c(OC)c1
InChIInChI=1S/C14H21NO2S/c1-16-12-5-4-11(13(8-12)17-2)9-15-10-14(18-3)6-7-14/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyNBPHDDBNJNJBKE-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2,4-dimethoxyphenyl)methylamino]methyl]cycloheptan-1-ol
CID 63362793
1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
CID 107267379
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-[(4-methylsulfanyloxan-4-yl)methyl]guanidine;hydroiodide
CID 111689985
N-[(2,4-dimethoxyphenyl)methyl]prop-2-yn-1-amine;ethane
CID 171535788
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2,4-dimethoxyphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115664588
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]-2-methylcyclohexan-1-ol
CID 111696225
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267384) is 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is COc1ccc(CNCC2(SC)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is NBPHDDBNJNJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-5-4-11(13(8-12)17-2)9-15-10-14(18-3)6-7-14/h4-5,8,15H,6-7,9-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine has a molecular weight of 267.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).