(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine

C11H17NO2 — CID 40516621

IUPAC(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO2/c1-8(12-2)10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3/t8-/m0/s1
InChIKeyNARFMHRYFHYPBT-QMMMGPOBSA-N
MW195.26 g/mol
LogP1.98
Rot. Bonds4

About (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine

(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine (PubChem CID 40516621) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
PubChem CID40516621
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
SMILESCN[C@@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C11H17NO2/c1-8(12-2)10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3/t8-/m0/s1
InChIKeyNARFMHRYFHYPBT-QMMMGPOBSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
1-chloro-1-(2,5-dimethoxyphenyl)-N-methylmethanamine
CID 116962039
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
1-(2,5-dimethoxyphenyl)-N,2-dimethylpropan-1-amine
CID 43481972
1-(2-chloro-5-methoxyphenyl)-N-methylethanamine
CID 84733712
4-methoxy-3-[1-(methylamino)ethyl]phenol
CID 84732356
1-(2,5-dimethoxyphenyl)-N-ethoxyethanamine
CID 82709740
1-(2,5-dimethoxyphenyl)-2-methoxy-N-methylpropan-1-amine
CID 79616097
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-[1-(2,5-dimethoxyphenyl)ethyl]pentan-2-amine
CID 43191466

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine (CID 40516621) is (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine is CN[C@@H](C)c1cc(OC)ccc1OC.
What is the InChIKey of (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is NARFMHRYFHYPBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(12-2)10-7-9(13-3)5-6-11(10)14-4/h5-8,12H,1-4H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine?
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 195.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 40516621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).