1-(2-aminoethylamino)-2-phenylpropan-2-ol

C11H18N2O — CID 62374351

IUPAC1-(2-aminoethylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNCCN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-11(14,9-13-8-7-12)10-5-3-2-4-6-10/h2-6,13-14H,7-9,12H2,1H3
InChIKeyNYMDDYIVMLFJOD-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.44
Rot. Bonds5

About 1-(2-aminoethylamino)-2-phenylpropan-2-ol

1-(2-aminoethylamino)-2-phenylpropan-2-ol (PubChem CID 62374351) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-aminoethylamino)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(2-aminoethylamino)-2-phenylpropan-2-ol
PubChem CID62374351
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-aminoethylamino)-2-phenylpropan-2-ol
SMILESCC(O)(CNCCN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-11(14,9-13-8-7-12)10-5-3-2-4-6-10/h2-6,13-14H,7-9,12H2,1H3
InChIKeyNYMDDYIVMLFJOD-UHFFFAOYSA-N
XLogP0.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
3-[(2-hydroxy-2-phenylpropyl)amino]-N,N-dimethylpropanamide
CID 62375011
3-[2-[(2-hydroxy-2-phenylpropyl)amino]ethyl]-1,1-dimethylurea
CID 83120713
1-[2-(3,5-difluorophenyl)ethylamino]-2-phenylpropan-2-ol
CID 62603873
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-1-phenylethanol
CID 177368261
1-[(2-hydroxy-2-phenylethyl)amino]-2-phenylpropan-2-ol
CID 62375669
1-[(2-hydroxy-2-phenylpropyl)amino]-4,4-dimethylpentan-2-ol
CID 107151998
2-phenyl-1-(pyridin-2-ylmethylamino)propan-2-ol
CID 62373506
1-[(2,4-difluorophenyl)methylamino]-2-phenylpropan-2-ol
CID 62374509
1-[(1-methylcyclopentyl)methylamino]-2-phenylpropan-2-ol
CID 63830115

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethylamino)-2-phenylpropan-2-ol?
The IUPAC name of 1-(2-aminoethylamino)-2-phenylpropan-2-ol (CID 62374351) is 1-(2-aminoethylamino)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(2-aminoethylamino)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(2-aminoethylamino)-2-phenylpropan-2-ol is CC(O)(CNCCN)c1ccccc1.
What is the InChIKey of 1-(2-aminoethylamino)-2-phenylpropan-2-ol?
The InChIKey is NYMDDYIVMLFJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(14,9-13-8-7-12)10-5-3-2-4-6-10/h2-6,13-14H,7-9,12H2,1H3.
What are the key properties of 1-(2-aminoethylamino)-2-phenylpropan-2-ol?
1-(2-aminoethylamino)-2-phenylpropan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethylamino)-2-phenylpropan-2-ol is sourced from PubChem (CID 62374351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).