3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine

C14H17N3O — CID 115045042

IUPAC3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccccc1CNc1ccncc1CN
InChIInChI=1S/C14H17N3O/c1-18-14-5-3-2-4-11(14)10-17-13-6-7-16-9-12(13)8-15/h2-7,9H,8,10,15H2,1H3,(H,16,17)
InChIKeyNLGNHYNCRYWKHN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds5

About 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine

3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine (PubChem CID 115045042) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
PubChem CID115045042
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
SMILESCOc1ccccc1CNc1ccncc1CN
InChIInChI=1S/C14H17N3O/c1-18-14-5-3-2-4-11(14)10-17-13-6-7-16-9-12(13)8-15/h2-7,9H,8,10,15H2,1H3,(H,16,17)
InChIKeyNLGNHYNCRYWKHN-UHFFFAOYSA-N
XLogP2.16
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypyridin-3-amine
CID 75430755
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
5-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106966308
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133468437
4-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridin-3-amine
CID 63329883
3-hydrazinyl-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 105071540
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
4-[[[3-(aminomethyl)-4-pyridinyl]amino]methyl]phenol
CID 115037219
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
3-amino-N-[3-methoxy-4-[(2-methoxyphenyl)methylamino]phenyl]propanamide
CID 141022551
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
3-[(2-methoxyphenyl)methylamino]pyridazine-4-carbothioamide
CID 80510898

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine (CID 115045042) is 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine is COc1ccccc1CNc1ccncc1CN.
What is the InChIKey of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine?
The InChIKey is NLGNHYNCRYWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-14-5-3-2-4-11(14)10-17-13-6-7-16-9-12(13)8-15/h2-7,9H,8,10,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine?
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 115045042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).