3-amino-1-(ethylamino)-1-phenylpropan-1-ol

C11H18N2O — CID 151338197

IUPAC3-amino-1-(ethylamino)-1-phenylpropan-1-ol
SMILESCCNC(O)(CCN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-2-13-11(14,8-9-12)10-6-4-3-5-7-10/h3-7,13-14H,2,8-9,12H2,1H3
InChIKeyOJXAMNGDEMJKOA-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.79
Rot. Bonds5

About 3-amino-1-(ethylamino)-1-phenylpropan-1-ol

3-amino-1-(ethylamino)-1-phenylpropan-1-ol (PubChem CID 151338197) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-amino-1-(ethylamino)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(ethylamino)-1-phenylpropan-1-ol
PubChem CID151338197
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-amino-1-(ethylamino)-1-phenylpropan-1-ol
SMILESCCNC(O)(CCN)c1ccccc1
InChIInChI=1S/C11H18N2O/c1-2-13-11(14,8-9-12)10-6-4-3-5-7-10/h3-7,13-14H,2,8-9,12H2,1H3
InChIKeyOJXAMNGDEMJKOA-UHFFFAOYSA-N
XLogP0.79
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 ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-phenylpentan-3-ol
CID 79006155
3,3,3-triphenylpropan-1-amine
CID 10125450
1-(2-chloroethylamino)-1-phenylbutan-1-ol
CID 70168684
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
CID 143493864
2-amino-1,1-diphenylethanol;2-methylpropane
CID 143904354
N-ethyl-1,1,1-trifluoro-2-phenylbutan-2-amine
CID 66204953
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-(2-aminoethylamino)-2-phenylpropan-2-ol
CID 62374351
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
ethoxyethane;triphenylmethanol
CID 70428584
3-amino-1-(2-methoxyphenoxy)-1-phenylpropan-1-ol
CID 69398907
2-(ethylamino)-2,3-diphenylpropanamide
CID 60787050

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(ethylamino)-1-phenylpropan-1-ol?
The IUPAC name of 3-amino-1-(ethylamino)-1-phenylpropan-1-ol (CID 151338197) is 3-amino-1-(ethylamino)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(ethylamino)-1-phenylpropan-1-ol?
The canonical SMILES for 3-amino-1-(ethylamino)-1-phenylpropan-1-ol is CCNC(O)(CCN)c1ccccc1.
What is the InChIKey of 3-amino-1-(ethylamino)-1-phenylpropan-1-ol?
The InChIKey is OJXAMNGDEMJKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-13-11(14,8-9-12)10-6-4-3-5-7-10/h3-7,13-14H,2,8-9,12H2,1H3.
What are the key properties of 3-amino-1-(ethylamino)-1-phenylpropan-1-ol?
3-amino-1-(ethylamino)-1-phenylpropan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(ethylamino)-1-phenylpropan-1-ol is sourced from PubChem (CID 151338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).