2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

C18H25N3 — CID 81314059

IUPAC2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(CCc1ccccc1CN)Cc1cccc(C)n1
InChIInChI=1S/C18H25N3/c1-3-21(14-18-10-6-7-15(2)20-18)12-11-16-8-4-5-9-17(16)13-19/h4-10H,3,11-14,19H2,1-2H3
InChIKeyXGEGCYOHVBIWQY-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.91
Rot. Bonds7

About 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine

2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (PubChem CID 81314059) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
PubChem CID81314059
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine
SMILESCCN(CCc1ccccc1CN)Cc1cccc(C)n1
InChIInChI=1S/C18H25N3/c1-3-21(14-18-10-6-7-15(2)20-18)12-11-16-8-4-5-9-17(16)13-19/h4-10H,3,11-14,19H2,1-2H3
InChIKeyXGEGCYOHVBIWQY-UHFFFAOYSA-N
XLogP2.91
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine (CID 81314059) is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is CCN(CCc1ccccc1CN)Cc1cccc(C)n1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
The InChIKey is XGEGCYOHVBIWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-21(14-18-10-6-7-15(2)20-18)12-11-16-8-4-5-9-17(16)13-19/h4-10H,3,11-14,19H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine?
2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 81314059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).