3-(1-aminoethyl)-2-methoxy-5-methylaniline

C10H16N2O — CID 82630793

IUPAC3-(1-aminoethyl)-2-methoxy-5-methylaniline
SMILESCOc1c(N)cc(C)cc1C(C)N
InChIInChI=1S/C10H16N2O/c1-6-4-8(7(2)11)10(13-3)9(12)5-6/h4-5,7H,11-12H2,1-3H3
InChIKeyMDVASCYGRCAZIA-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.61
Rot. Bonds2

About 3-(1-aminoethyl)-2-methoxy-5-methylaniline

3-(1-aminoethyl)-2-methoxy-5-methylaniline (PubChem CID 82630793) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name3-(1-aminoethyl)-2-methoxy-5-methylaniline
PubChem CID82630793
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-(1-aminoethyl)-2-methoxy-5-methylaniline
SMILESCOc1c(N)cc(C)cc1C(C)N
InChIInChI=1S/C10H16N2O/c1-6-4-8(7(2)11)10(13-3)9(12)5-6/h4-5,7H,11-12H2,1-3H3
InChIKeyMDVASCYGRCAZIA-UHFFFAOYSA-N
XLogP1.61
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-aminoethyl)-2-methoxy-5-methylaniline?
The IUPAC name of 3-(1-aminoethyl)-2-methoxy-5-methylaniline (CID 82630793) is 3-(1-aminoethyl)-2-methoxy-5-methylaniline.
What is the SMILES notation for 3-(1-aminoethyl)-2-methoxy-5-methylaniline?
The canonical SMILES for 3-(1-aminoethyl)-2-methoxy-5-methylaniline is COc1c(N)cc(C)cc1C(C)N.
What is the InChIKey of 3-(1-aminoethyl)-2-methoxy-5-methylaniline?
The InChIKey is MDVASCYGRCAZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-4-8(7(2)11)10(13-3)9(12)5-6/h4-5,7H,11-12H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-2-methoxy-5-methylaniline?
3-(1-aminoethyl)-2-methoxy-5-methylaniline has a molecular weight of 180.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-2-methoxy-5-methylaniline is sourced from PubChem (CID 82630793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).