N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine

C14H17N3O — CID 63589651

IUPACN-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCc2cccc(CN)c2)n1
InChIInChI=1S/C14H17N3O/c1-18-14-7-3-6-13(17-14)16-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyADLKRTSUUCEEGD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.16
Rot. Bonds5

About N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine

N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine (PubChem CID 63589651) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
PubChem CID63589651
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine
SMILESCOc1cccc(NCc2cccc(CN)c2)n1
InChIInChI=1S/C14H17N3O/c1-18-14-7-3-6-13(17-14)16-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10,15H2,1H3,(H,16,17)
InChIKeyADLKRTSUUCEEGD-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-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
CID 55031927
N-[[4-(aminomethyl)phenyl]methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66331237
6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
N-[[4-(aminomethyl)phenyl]methyl]-6-methylpyridin-2-amine
CID 54936308
[3-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232135
[3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]phenyl]methanol
CID 115355459
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80831001
N-[3-(aminomethyl)phenyl]-6-methoxy-4-methylpyridin-2-amine;methane
CID 157374019
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
6-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403349
3-N-(6-methoxy-2-pyridinyl)-4,4-dimethylpentane-1,3-diamine
CID 106357869

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine (CID 63589651) is N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine is COc1cccc(NCc2cccc(CN)c2)n1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine?
The InChIKey is ADLKRTSUUCEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-14-7-3-6-13(17-14)16-10-12-5-2-4-11(8-12)9-15/h2-8H,9-10,15H2,1H3,(H,16,17).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine?
N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-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 N-[[3-(aminomethyl)phenyl]methyl]-6-methoxypyridin-2-amine is sourced from PubChem (CID 63589651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).