4-(ethylamino)-1-phenylbutan-1-ol

C12H19NO — CID 23009158

IUPAC4-(ethylamino)-1-phenylbutan-1-ol
SMILESCCNCCCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-13-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeyXYXNDHWBZWUCTE-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds6

About 4-(ethylamino)-1-phenylbutan-1-ol

4-(ethylamino)-1-phenylbutan-1-ol (PubChem CID 23009158) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(ethylamino)-1-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(ethylamino)-1-phenylbutan-1-ol
PubChem CID23009158
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name4-(ethylamino)-1-phenylbutan-1-ol
SMILESCCNCCCC(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-2-13-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3
InChIKeyXYXNDHWBZWUCTE-UHFFFAOYSA-N
XLogP2.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2-(ethylamino)-1-phenylethanol
CID 38989247
(1S)-1-phenylpentan-1-ol
CID 6992754
(1R)-1-phenyloctan-1-ol
CID 12794259
(1S)-2-(hexylamino)-1-phenylethanol
CID 102581936
5-methyl-1-phenylhexan-1-ol
CID 10997859
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033
5-(3-phenylbutylamino)pentan-2-ol
CID 107272084
(4R)-1-phenylpentane-1,4-diol
CID 13204353
phenylmethanol;1-phenylpentan-1-ol
CID 160862998

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-phenylbutan-1-ol?
The IUPAC name of 4-(ethylamino)-1-phenylbutan-1-ol (CID 23009158) is 4-(ethylamino)-1-phenylbutan-1-ol.
What is the SMILES notation for 4-(ethylamino)-1-phenylbutan-1-ol?
The canonical SMILES for 4-(ethylamino)-1-phenylbutan-1-ol is CCNCCCC(O)c1ccccc1.
What is the InChIKey of 4-(ethylamino)-1-phenylbutan-1-ol?
The InChIKey is XYXNDHWBZWUCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-13-10-6-9-12(14)11-7-4-3-5-8-11/h3-5,7-8,12-14H,2,6,9-10H2,1H3.
What are the key properties of 4-(ethylamino)-1-phenylbutan-1-ol?
4-(ethylamino)-1-phenylbutan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-phenylbutan-1-ol is sourced from PubChem (CID 23009158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).