4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol

C14H24N2O — CID 166924767

IUPAC4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol
SMILESCCc1ccc(CCC(C)O)c(N)c1CCN
InChIInChI=1S/C14H24N2O/c1-3-11-6-7-12(5-4-10(2)17)14(16)13(11)8-9-15/h6-7,10,17H,3-5,8-9,15-16H2,1-2H3
InChIKeyNEHWSGBMRWCBDH-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds6

About 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol

4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol (PubChem CID 166924767) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol.

Molecular Properties

Compound Name4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol
PubChem CID166924767
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol
SMILESCCc1ccc(CCC(C)O)c(N)c1CCN
InChIInChI=1S/C14H24N2O/c1-3-11-6-7-12(5-4-10(2)17)14(16)13(11)8-9-15/h6-7,10,17H,3-5,8-9,15-16H2,1-2H3
InChIKeyNEHWSGBMRWCBDH-UHFFFAOYSA-N
XLogP1.65
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol?
The IUPAC name of 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol (CID 166924767) is 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol.
What is the SMILES notation for 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol?
The canonical SMILES for 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol is CCc1ccc(CCC(C)O)c(N)c1CCN.
What is the InChIKey of 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol?
The InChIKey is NEHWSGBMRWCBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-11-6-7-12(5-4-10(2)17)14(16)13(11)8-9-15/h6-7,10,17H,3-5,8-9,15-16H2,1-2H3.
What are the key properties of 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol?
4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-3-(2-aminoethyl)-4-ethylphenyl]butan-2-ol is sourced from PubChem (CID 166924767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).