4-amino-1-(3-ethylphenyl)butan-2-ol

C12H19NO — CID 70653486

IUPAC4-amino-1-(3-ethylphenyl)butan-2-ol
SMILESCCc1cccc(CC(O)CCN)c1
InChIInChI=1S/C12H19NO/c1-2-10-4-3-5-11(8-10)9-12(14)6-7-13/h3-5,8,12,14H,2,6-7,9,13H2,1H3
InChIKeyJYRMDDTYBGDIID-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.50
Rot. Bonds5

About 4-amino-1-(3-ethylphenyl)butan-2-ol

4-amino-1-(3-ethylphenyl)butan-2-ol (PubChem CID 70653486) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-amino-1-(3-ethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-amino-1-(3-ethylphenyl)butan-2-ol
PubChem CID70653486
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-amino-1-(3-ethylphenyl)butan-2-ol
SMILESCCc1cccc(CC(O)CCN)c1
InChIInChI=1S/C12H19NO/c1-2-10-4-3-5-11(8-10)9-12(14)6-7-13/h3-5,8,12,14H,2,6-7,9,13H2,1H3
InChIKeyJYRMDDTYBGDIID-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-tert-butylphenyl)butan-2-ol
CID 66582205
1-(3-ethylphenyl)butan-2-ol
CID 91658604
1-(3-ethylphenyl)propan-2-ol
CID 85092525
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
1-(3-ethylphenyl)-3-methylbut-3-en-2-amine
CID 170419567
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-(3-tert-butylphenyl)hexan-2-ol
CID 71163599
1-(2,2-difluoroethyl)-3-ethylbenzene;propane
CID 143740703
ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
1-[(3-ethylphenyl)methylamino]butan-2-ol
CID 142241799
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-ethylphenyl)butan-2-ol?
The IUPAC name of 4-amino-1-(3-ethylphenyl)butan-2-ol (CID 70653486) is 4-amino-1-(3-ethylphenyl)butan-2-ol.
What is the SMILES notation for 4-amino-1-(3-ethylphenyl)butan-2-ol?
The canonical SMILES for 4-amino-1-(3-ethylphenyl)butan-2-ol is CCc1cccc(CC(O)CCN)c1.
What is the InChIKey of 4-amino-1-(3-ethylphenyl)butan-2-ol?
The InChIKey is JYRMDDTYBGDIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-4-3-5-11(8-10)9-12(14)6-7-13/h3-5,8,12,14H,2,6-7,9,13H2,1H3.
What are the key properties of 4-amino-1-(3-ethylphenyl)butan-2-ol?
4-amino-1-(3-ethylphenyl)butan-2-ol has a molecular weight of 193.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-ethylphenyl)butan-2-ol is sourced from PubChem (CID 70653486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).