N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine

C14H17N3O — CID 113397988

IUPACN-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1Nc1ccc(CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-13-4-3-9-16-14(13)17-12-7-5-11(10-15)6-8-12/h3-9H,2,10,15H2,1H3,(H,16,17)
InChIKeyNUMCBHUAKSANJH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.68
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine

N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine (PubChem CID 113397988) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine
PubChem CID113397988
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine
SMILESCCOc1cccnc1Nc1ccc(CN)cc1
InChIInChI=1S/C14H17N3O/c1-2-18-13-4-3-9-16-14(13)17-12-7-5-11(10-15)6-8-12/h3-9H,2,10,15H2,1H3,(H,16,17)
InChIKeyNUMCBHUAKSANJH-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine (CID 113397988) is N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine is CCOc1cccnc1Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine?
The InChIKey is NUMCBHUAKSANJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13-4-3-9-16-14(13)17-12-7-5-11(10-15)6-8-12/h3-9H,2,10,15H2,1H3,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine?
N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-ethoxypyridin-2-amine is sourced from PubChem (CID 113397988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).