2,4-diamino-1,5-diphenylpentan-3-ol

C17H22N2O — CID 4627394

IUPAC2,4-diamino-1,5-diphenylpentan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2
InChIKeyGZBLEJZADHZBBZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.49
Rot. Bonds6

About 2,4-diamino-1,5-diphenylpentan-3-ol

2,4-diamino-1,5-diphenylpentan-3-ol (PubChem CID 4627394) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,4-diamino-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name2,4-diamino-1,5-diphenylpentan-3-ol
PubChem CID4627394
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2,4-diamino-1,5-diphenylpentan-3-ol
SMILESNC(Cc1ccccc1)C(O)C(N)Cc1ccccc1
InChIInChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2
InChIKeyGZBLEJZADHZBBZ-UHFFFAOYSA-N
XLogP1.49
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1,5-diphenylpentan-3-ol?
The IUPAC name of 2,4-diamino-1,5-diphenylpentan-3-ol (CID 4627394) is 2,4-diamino-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 2,4-diamino-1,5-diphenylpentan-3-ol?
The canonical SMILES for 2,4-diamino-1,5-diphenylpentan-3-ol is NC(Cc1ccccc1)C(O)C(N)Cc1ccccc1.
What is the InChIKey of 2,4-diamino-1,5-diphenylpentan-3-ol?
The InChIKey is GZBLEJZADHZBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c18-15(11-13-7-3-1-4-8-13)17(20)16(19)12-14-9-5-2-6-10-14/h1-10,15-17,20H,11-12,18-19H2.
What are the key properties of 2,4-diamino-1,5-diphenylpentan-3-ol?
2,4-diamino-1,5-diphenylpentan-3-ol has a molecular weight of 270.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 4627394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).