2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline

C15H19N3O — CID 81299898

IUPAC2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(CN)c(N(C)Cc2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-18(11-12-5-7-17-8-6-12)15-9-14(19-2)4-3-13(15)10-16/h3-9H,10-11,16H2,1-2H3
InChIKeyRWFBYMRLJBISOW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.19
Rot. Bonds5

About 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline

2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 81299898) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID81299898
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline
SMILESCOc1ccc(CN)c(N(C)Cc2ccncc2)c1
InChIInChI=1S/C15H19N3O/c1-18(11-12-5-7-17-8-6-12)15-9-14(19-2)4-3-13(15)10-16/h3-9H,10-11,16H2,1-2H3
InChIKeyRWFBYMRLJBISOW-UHFFFAOYSA-N
XLogP2.19
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 81299989
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
2-(aminomethyl)-5-methoxy-N-(4-methoxyphenyl)-N-methylaniline
CID 81299533
4-(aminomethyl)-3-bromo-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 107532176
2-(2-aminoethyl)-5-chloro-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 114860692
5-methoxy-3-N-methyl-3-N-(pyridin-4-ylmethyl)benzene-1,3-diamine
CID 80730531
4-(aminomethyl)-2-bromo-N-methyl-N-(pyridin-4-ylmethyl)aniline
CID 82794707
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylpyridazin-3-amine
CID 80508911
4-(aminomethyl)-N-methyl-N-(pyridin-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43563877
2-(aminomethyl)-5-methoxy-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 81298982
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
2-(aminomethyl)-N-cyclohexyl-5-methoxy-N-methylaniline
CID 81298046

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline (CID 81299898) is 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline is COc1ccc(CN)c(N(C)Cc2ccncc2)c1.
What is the InChIKey of 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is RWFBYMRLJBISOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(11-12-5-7-17-8-6-12)15-9-14(19-2)4-3-13(15)10-16/h3-9H,10-11,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline?
2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 257.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-methoxy-N-methyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 81299898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).