5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline

C16H21N3O — CID 43686524

IUPAC5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NCc1cccnc1
InChIInChI=1S/C16H21N3O/c1-19(2)12-13-6-7-16(20-3)15(9-13)18-11-14-5-4-8-17-10-14/h4-10,18H,11-12H2,1-3H3
InChIKeyFGRUYMFJBKSVNG-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds6

About 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline

5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43686524) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
PubChem CID43686524
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline
SMILESCOc1ccc(CN(C)C)cc1NCc1cccnc1
InChIInChI=1S/C16H21N3O/c1-19(2)12-13-6-7-16(20-3)15(9-13)18-11-14-5-4-8-17-10-14/h4-10,18H,11-12H2,1-3H3
InChIKeyFGRUYMFJBKSVNG-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
5-tert-butyl-2-methoxy-N-(pyridin-3-ylmethyl)aniline
CID 43425876
N-[[4-[(dimethylamino)methyl]-2-methoxyphenyl]methyl]-1-pyridin-3-ylmethanamine
CID 84746205
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
5-[(dimethylamino)methyl]-2-methoxy-N-[(2-methylphenyl)methyl]aniline
CID 43686508
6-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]pyridin-3-ol
CID 79782269
5-[(dimethylamino)methyl]-N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 61324530
5-[(dimethylamino)methyl]-N-[(5-ethylfuran-2-yl)methyl]-2-methoxyaniline
CID 62346152
5-[(dimethylamino)methyl]-N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66410939
2-[[5-[(dimethylamino)methyl]-2-methoxyanilino]methyl]thiophen-3-amine
CID 66387140
N-[(5-bromofuran-2-yl)methyl]-5-[(dimethylamino)methyl]-2-methoxyaniline
CID 43686533
N-ethyl-N-[[3-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 84746118

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline (CID 43686524) is 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline is COc1ccc(CN(C)C)cc1NCc1cccnc1.
What is the InChIKey of 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is FGRUYMFJBKSVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(2)12-13-6-7-16(20-3)15(9-13)18-11-14-5-4-8-17-10-14/h4-10,18H,11-12H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline?
5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-2-methoxy-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43686524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).