(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine

C17H22N2O2 — CID 948867

IUPAC(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC[C@H](NCc1cccnc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-15(19-12-13-6-5-9-18-11-13)14-7-8-16(20-2)17(10-14)21-3/h5-11,15,19H,4,12H2,1-3H3/t15-/m0/s1
InChIKeyCHEYOVHGAFSPII-HNNXBMFYSA-N
MW286.38 g/mol
LogP3.34
Rot. Bonds7

About (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine

(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine (PubChem CID 948867) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
PubChem CID948867
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine
SMILESCC[C@H](NCc1cccnc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C17H22N2O2/c1-4-15(19-12-13-6-5-9-18-11-13)14-7-8-16(20-2)17(10-14)21-3/h5-11,15,19H,4,12H2,1-3H3/t15-/m0/s1
InChIKeyCHEYOVHGAFSPII-HNNXBMFYSA-N
XLogP3.34
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propan-1-amine
CID 43204862
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449
(1S)-1-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)propan-1-amine
CID 97096345
1-[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 51086161
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
N-ethyl-1-[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 43279469
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-2-ylmethyl)propan-1-amine
CID 64546221
1-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43200433
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
(1R)-2-[[(1R)-1-(3,4-dimethoxyphenyl)-2-phenylethyl]amino]-1-pyridin-3-ylethanol
CID 22881914
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine (CID 948867) is (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The canonical SMILES for (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine is CC[C@H](NCc1cccnc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine?
The InChIKey is CHEYOVHGAFSPII-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-15(19-12-13-6-5-9-18-11-13)14-7-8-16(20-2)17(10-14)21-3/h5-11,15,19H,4,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine?
(1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 948867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).