3-amino-3-(2-aminophenyl)pentane-1,5-diol

C11H18N2O2 — CID 175884616

IUPAC3-amino-3-(2-aminophenyl)pentane-1,5-diol
SMILESNc1ccccc1C(N)(CCO)CCO
InChIInChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2
InChIKeyGRMRBXBAYIVSDH-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.19
Rot. Bonds5

About 3-amino-3-(2-aminophenyl)pentane-1,5-diol

3-amino-3-(2-aminophenyl)pentane-1,5-diol (PubChem CID 175884616) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-3-(2-aminophenyl)pentane-1,5-diol.

Molecular Properties

Compound Name3-amino-3-(2-aminophenyl)pentane-1,5-diol
PubChem CID175884616
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-amino-3-(2-aminophenyl)pentane-1,5-diol
SMILESNc1ccccc1C(N)(CCO)CCO
InChIInChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2
InChIKeyGRMRBXBAYIVSDH-UHFFFAOYSA-N
XLogP0.19
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-3-phenylpentan-1-ol
CID 124509326
2-[2-(2-aminophenyl)butan-2-yl]aniline
CID 139712406
1-(2-aminophenyl)propane-1,1-diol
CID 67410259
2-tert-butylaniline
CID 159041627
2-(2,4,4-trimethylpentan-2-yl)aniline
CID 67789986
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
2-[difluoro(iodo)methyl]aniline
CID 167085187
2-[bis(2-aminophenyl)-phenylmethyl]aniline
CID 18354124
2-(1,1-dibromo-2-phenylethyl)aniline
CID 162350796
2-(2-aminophenyl)-2,2-difluoroacetyl fluoride
CID 175416432
(1R)-1-(2-aminophenyl)-1-phenylethanol
CID 92860842
2-[2-[4-[2-(2-aminophenyl)propan-2-yl]phenyl]propan-2-yl]aniline
CID 18997970

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The IUPAC name of 3-amino-3-(2-aminophenyl)pentane-1,5-diol (CID 175884616) is 3-amino-3-(2-aminophenyl)pentane-1,5-diol.
What is the SMILES notation for 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The canonical SMILES for 3-amino-3-(2-aminophenyl)pentane-1,5-diol is Nc1ccccc1C(N)(CCO)CCO.
What is the InChIKey of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
The InChIKey is GRMRBXBAYIVSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c12-10-4-2-1-3-9(10)11(13,5-7-14)6-8-15/h1-4,14-15H,5-8,12-13H2.
What are the key properties of 3-amino-3-(2-aminophenyl)pentane-1,5-diol?
3-amino-3-(2-aminophenyl)pentane-1,5-diol has a molecular weight of 210.28 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-aminophenyl)pentane-1,5-diol is sourced from PubChem (CID 175884616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).