N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline

C14H17N3 — CID 105484928

IUPACN-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccncc2CN)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-12-5-6-16-9-13(12)8-15/h2-7,9,17H,8,10,15H2,1H3
InChIKeyGJZGWWZYTHPUPB-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.46
Rot. Bonds4

About N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline

N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline (PubChem CID 105484928) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline
PubChem CID105484928
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline
SMILESCc1cccc(NCc2ccncc2CN)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-12-5-6-16-9-13(12)8-15/h2-7,9,17H,8,10,15H2,1H3
InChIKeyGJZGWWZYTHPUPB-UHFFFAOYSA-N
XLogP2.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethylphenyl)methyl]-3-methylaniline
CID 21444100
3-methyl-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 115671114
2-methyl-4-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,4-diamine
CID 114698439
2-[2-[(3-methylanilino)methyl]phenyl]acetic acid
CID 115461361
[3-(aminomethyl)-4-pyridinyl]methanamine;dihydrochloride
CID 66524168
3-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-4-amine
CID 81246098
3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311911
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[(3-methylanilino)methyl]pyrimidin-4-amine
CID 105467878
N-[(4-methyl-3-pyridinyl)methyl]pyridin-4-amine
CID 114956500
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
N-(3-methylphenyl)-1-pyridin-3-ylethane-1,2-diamine
CID 65378191

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline?
The IUPAC name of N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline (CID 105484928) is N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline.
What is the SMILES notation for N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline?
The canonical SMILES for N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline is Cc1cccc(NCc2ccncc2CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline?
The InChIKey is GJZGWWZYTHPUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-3-2-4-14(7-11)17-10-12-5-6-16-9-13(12)8-15/h2-7,9,17H,8,10,15H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline?
N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline has a molecular weight of 227.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-pyridinyl]methyl]-3-methylaniline is sourced from PubChem (CID 105484928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).