1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

C14H21NO2S — CID 107267379

IUPAC1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCOc1cccc(CNCC2(SC)CC2)c1OC
InChIInChI=1S/C14H21NO2S/c1-16-12-6-4-5-11(13(12)17-2)9-15-10-14(18-3)7-8-14/h4-6,15H,7-10H2,1-3H3
InChIKeyOJCDOXTYBDQAJD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.69
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine

1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (PubChem CID 107267379) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
PubChem CID107267379
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine
SMILESCOc1cccc(CNCC2(SC)CC2)c1OC
InChIInChI=1S/C14H21NO2S/c1-16-12-6-4-5-11(13(12)17-2)9-15-10-14(18-3)7-8-14/h4-6,15H,7-10H2,1-3H3
InChIKeyOJCDOXTYBDQAJD-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

N-[(1-methylsulfanylcyclobutyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 107267050
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115525
N'-[(2,3-dimethoxyphenyl)methyl]ethane-1,2-diamine
CID 60888346
N-[(2,3-dimethoxyphenyl)methyl]propan-1-amine
CID 4717511
3-[[(2,3-dimethoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268272
CID 59317356
CID 59317356
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2-[[(1-methylsulfanylcyclobutyl)methylamino]methyl]phenol
CID 107267118
N-[(2,3-dimethoxyphenyl)methyl]-1-phenylmethanamine
CID 769797
1-[[(2,3-dimethoxyphenyl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110350
N-[(2,3-dimethoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17295657
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine (CID 107267379) is 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is COc1cccc(CNCC2(SC)CC2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
The InChIKey is OJCDOXTYBDQAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-16-12-6-4-5-11(13(12)17-2)9-15-10-14(18-3)7-8-14/h4-6,15H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine?
1-(2,3-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-(2,3-dimethoxyphenyl)-N-[(1-methylsulfanylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107267379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).