4-(aminomethyl)-N-(2-methoxyethyl)aniline

C10H16N2O — CID 47002421

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(CN)cc1
InChIInChI=1S/C10H16N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-8,11H2,1H3
InChIKeySNWVYAKOXVAWFU-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.20
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)aniline

4-(aminomethyl)-N-(2-methoxyethyl)aniline (PubChem CID 47002421) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)aniline
PubChem CID47002421
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccc(CN)cc1
InChIInChI=1S/C10H16N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-8,11H2,1H3
InChIKeySNWVYAKOXVAWFU-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)aniline (CID 47002421) is 4-(aminomethyl)-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)aniline is COCCNc1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)aniline?
The InChIKey is SNWVYAKOXVAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-8,11H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)aniline?
4-(aminomethyl)-N-(2-methoxyethyl)aniline has a molecular weight of 180.25 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 47002421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).