3,5-bis(aminomethyl)-2,4-dimethoxyaniline

C10H17N3O2 — CID 23346962

IUPAC3,5-bis(aminomethyl)-2,4-dimethoxyaniline
SMILESCOc1c(N)cc(CN)c(OC)c1CN
InChIInChI=1S/C10H17N3O2/c1-14-9-6(4-11)3-8(13)10(15-2)7(9)5-12/h3H,4-5,11-13H2,1-2H3
InChIKeyWKFLQTLLGYGGLS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.20
Rot. Bonds4

About 3,5-bis(aminomethyl)-2,4-dimethoxyaniline

3,5-bis(aminomethyl)-2,4-dimethoxyaniline (PubChem CID 23346962) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3,5-bis(aminomethyl)-2,4-dimethoxyaniline.

Molecular Properties

Compound Name3,5-bis(aminomethyl)-2,4-dimethoxyaniline
PubChem CID23346962
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3,5-bis(aminomethyl)-2,4-dimethoxyaniline
SMILESCOc1c(N)cc(CN)c(OC)c1CN
InChIInChI=1S/C10H17N3O2/c1-14-9-6(4-11)3-8(13)10(15-2)7(9)5-12/h3H,4-5,11-13H2,1-2H3
InChIKeyWKFLQTLLGYGGLS-UHFFFAOYSA-N
XLogP0.20
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(aminomethyl)-2,4-dimethoxyaniline?
The IUPAC name of 3,5-bis(aminomethyl)-2,4-dimethoxyaniline (CID 23346962) is 3,5-bis(aminomethyl)-2,4-dimethoxyaniline.
What is the SMILES notation for 3,5-bis(aminomethyl)-2,4-dimethoxyaniline?
The canonical SMILES for 3,5-bis(aminomethyl)-2,4-dimethoxyaniline is COc1c(N)cc(CN)c(OC)c1CN.
What is the InChIKey of 3,5-bis(aminomethyl)-2,4-dimethoxyaniline?
The InChIKey is WKFLQTLLGYGGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-14-9-6(4-11)3-8(13)10(15-2)7(9)5-12/h3H,4-5,11-13H2,1-2H3.
What are the key properties of 3,5-bis(aminomethyl)-2,4-dimethoxyaniline?
3,5-bis(aminomethyl)-2,4-dimethoxyaniline has a molecular weight of 211.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(aminomethyl)-2,4-dimethoxyaniline is sourced from PubChem (CID 23346962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).