(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine

C17H22N2O2 — CID 81393307

IUPAC(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
SMILESCOc1ccc(OC)c(C(C)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C17H22N2O2/c1-12(19-13(2)16-7-5-6-10-18-16)15-11-14(20-3)8-9-17(15)21-4/h5-13,19H,1-4H3/t12?,13-/m0/s1
InChIKeyVYICDRZESICYEM-ABLWVSNPSA-N
MW286.38 g/mol
LogP3.51
Rot. Bonds6

About (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine

(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 81393307) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID81393307
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine
SMILESCOc1ccc(OC)c(C(C)N[C@@H](C)c2ccccn2)c1
InChIInChI=1S/C17H22N2O2/c1-12(19-13(2)16-7-5-6-10-18-16)15-11-14(20-3)8-9-17(15)21-4/h5-13,19H,1-4H3/t12?,13-/m0/s1
InChIKeyVYICDRZESICYEM-ABLWVSNPSA-N
XLogP3.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[1-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]phenol
CID 81402064
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-(2-ethoxyphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81400310
1-(2-methylphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43203224
2-methoxy-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 43202613
2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
1-[(1S)-1-(2-methoxyphenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 94054970
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
(2,4-dimethoxyphenyl)-pyridin-2-ylmethanol
CID 62801796
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyridin-2-ylethanamine
CID 43121364
(1R)-1-naphthalen-1-yl-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 10754955

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine (CID 81393307) is (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine is COc1ccc(OC)c(C(C)N[C@@H](C)c2ccccn2)c1.
What is the InChIKey of (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is VYICDRZESICYEM-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(19-13(2)16-7-5-6-10-18-16)15-11-14(20-3)8-9-17(15)21-4/h5-13,19H,1-4H3/t12?,13-/m0/s1.
What are the key properties of (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine?
(1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 286.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 81393307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).