5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C21H29N3O3 — CID 119047908

IUPAC5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCCC(NCc1ccc(N(C)CCOC)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H29N3O3/c1-4-18(17-6-7-19-20(13-17)27-12-11-26-19)22-14-16-5-8-21(23-15-16)24(2)9-10-25-3/h5-8,13,15,18,22H,4,9-12,14H2,1-3H3
InChIKeyHAKOZPQQMNBVQP-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.18
Rot. Bonds9

About 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 119047908) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID119047908
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCCC(NCc1ccc(N(C)CCOC)nc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H29N3O3/c1-4-18(17-6-7-19-20(13-17)27-12-11-26-19)22-14-16-5-8-21(23-15-16)24(2)9-10-25-3/h5-8,13,15,18,22H,4,9-12,14H2,1-3H3
InChIKeyHAKOZPQQMNBVQP-UHFFFAOYSA-N
XLogP3.18
TPSA55.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine with MolForge

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Related Compounds

5-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]amino]methyl]-N-ethyl-N-methylpyridin-2-amine
CID 124731296
N-(2-methoxyethyl)-N-methyl-5-[[[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]amino]methyl]pyridin-2-amine
CID 124726400
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 97229804
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(naphthalen-2-ylmethyl)propan-1-amine
CID 97025846
1-[2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 119047897
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-(2-methoxyethyl)-N-methyl-5-[[[(2R)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729154
N-(2-methoxyethyl)-N-methyl-5-[[[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl]amino]methyl]pyridin-2-amine
CID 124729153
5-(bromomethyl)-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 107081177
(1R)-2-[[6-[2-methoxyethyl(methyl)amino]-3-pyridinyl]methylamino]-1-naphthalen-2-ylethanol
CID 124850799
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 51131289
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61448308

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 119047908) is 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is CCC(NCc1ccc(N(C)CCOC)nc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is HAKOZPQQMNBVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-18(17-6-7-19-20(13-17)27-12-11-26-19)22-14-16-5-8-21(23-15-16)24(2)9-10-25-3/h5-8,13,15,18,22H,4,9-12,14H2,1-3H3.
What are the key properties of 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 371.48 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylamino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 119047908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).