2-ethyl-2-(3-phenylpropylamino)butan-1-ol

C15H25NO — CID 55081812

IUPAC2-ethyl-2-(3-phenylpropylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-15(4-2,13-17)16-12-8-11-14-9-6-5-7-10-14/h5-7,9-10,16-17H,3-4,8,11-13H2,1-2H3
InChIKeyZIBHBCONTBXPOZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.76
Rot. Bonds8

About 2-ethyl-2-(3-phenylpropylamino)butan-1-ol

2-ethyl-2-(3-phenylpropylamino)butan-1-ol (PubChem CID 55081812) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-ethyl-2-(3-phenylpropylamino)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(3-phenylpropylamino)butan-1-ol
PubChem CID55081812
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-ethyl-2-(3-phenylpropylamino)butan-1-ol
SMILESCCC(CC)(CO)NCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-3-15(4-2,13-17)16-12-8-11-14-9-6-5-7-10-14/h5-7,9-10,16-17H,3-4,8,11-13H2,1-2H3
InChIKeyZIBHBCONTBXPOZ-UHFFFAOYSA-N
XLogP2.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.76
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

3-ethyl-N-(3-phenylpropyl)pentan-3-amine
CID 65039319
3-ethyl-N-(4-phenylbutyl)pentan-3-amine
CID 114333397
2-ethyl-2-(methylamino)-5-(3-phenylpropoxy)pentan-1-ol
CID 106810196
2-ethyl-2-(2-pyridin-3-ylethylamino)butan-1-ol
CID 63265002
2-(3-phenylpropylamino)ethanol
CID 19012091
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
2-anilino-2-ethylbutan-1-ol
CID 61046791
2-ethyl-2-(2-phenylprop-2-enylamino)butan-1-ol
CID 113288152
(2R)-2-(3-phenylpropylamino)butan-1-ol
CID 28724554
N-(3-phenylpropyl)hydroxylamine;hydrobromide
CID 175175085
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-phenylpropylamino)butan-1-ol?
The IUPAC name of 2-ethyl-2-(3-phenylpropylamino)butan-1-ol (CID 55081812) is 2-ethyl-2-(3-phenylpropylamino)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(3-phenylpropylamino)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(3-phenylpropylamino)butan-1-ol is CCC(CC)(CO)NCCCc1ccccc1.
What is the InChIKey of 2-ethyl-2-(3-phenylpropylamino)butan-1-ol?
The InChIKey is ZIBHBCONTBXPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-15(4-2,13-17)16-12-8-11-14-9-6-5-7-10-14/h5-7,9-10,16-17H,3-4,8,11-13H2,1-2H3.
What are the key properties of 2-ethyl-2-(3-phenylpropylamino)butan-1-ol?
2-ethyl-2-(3-phenylpropylamino)butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-phenylpropylamino)butan-1-ol is sourced from PubChem (CID 55081812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).