4-amino-2-ethyl-2-phenylbutan-1-ol;ethane

C14H25NO — CID 143493864

IUPAC4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
SMILESCC.CCC(CO)(CCN)c1ccccc1
InChIInChI=1S/C12H19NO.C2H6/c1-2-12(10-14,8-9-13)11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10,13H2,1H3;1-2H3
InChIKeyPLZBWJGOKUEYLM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.70
Rot. Bonds5

About 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane

4-amino-2-ethyl-2-phenylbutan-1-ol;ethane (PubChem CID 143493864) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane.

Molecular Properties

Compound Name4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
PubChem CID143493864
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-amino-2-ethyl-2-phenylbutan-1-ol;ethane
SMILESCC.CCC(CO)(CCN)c1ccccc1
InChIInChI=1S/C12H19NO.C2H6/c1-2-12(10-14,8-9-13)11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10,13H2,1H3;1-2H3
InChIKeyPLZBWJGOKUEYLM-UHFFFAOYSA-N
XLogP2.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
2-ethyl-2-phenyl-4-propan-2-yloxybutan-1-ol
CID 66060643
1-amino-3-phenylpentan-3-ol
CID 79006155
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
[2-(hydroxymethyl)-2-phenylbutyl] N-aminocarbamate
CID 131876760
2-(aminomethyl)-4-ethoxy-2-phenylbutan-1-ol
CID 106508031
3,3,3-triphenylpropan-1-amine
CID 10125450
2-[(2,5-dichlorophenyl)methyl]-2-phenylbutan-1-ol
CID 66058930
3-amino-1-(ethylamino)-1-phenylpropan-1-ol
CID 151338197
2-[(2-bromophenyl)methyl]-2-phenylbutan-1-ol
CID 66059776

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane?
The IUPAC name of 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane (CID 143493864) is 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane.
What is the SMILES notation for 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane?
The canonical SMILES for 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane is CC.CCC(CO)(CCN)c1ccccc1.
What is the InChIKey of 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane?
The InChIKey is PLZBWJGOKUEYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.C2H6/c1-2-12(10-14,8-9-13)11-6-4-3-5-7-11;1-2/h3-7,14H,2,8-10,13H2,1H3;1-2H3.
What are the key properties of 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane?
4-amino-2-ethyl-2-phenylbutan-1-ol;ethane has a molecular weight of 223.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethyl-2-phenylbutan-1-ol;ethane is sourced from PubChem (CID 143493864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).