3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

C16H25NO — CID 106285486

IUPAC3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(O)C(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-14(5-2)16(18)12-17-11-13(3)15-9-7-6-8-10-15/h6-10,14,16-18H,3-5,11-12H2,1-2H3
InChIKeyIFEYSCAIDMTXFJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.09
Rot. Bonds8

About 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol

3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (PubChem CID 106285486) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
PubChem CID106285486
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
SMILESC=C(CNCC(O)C(CC)CC)c1ccccc1
InChIInChI=1S/C16H25NO/c1-4-14(5-2)16(18)12-17-11-13(3)15-9-7-6-8-10-15/h6-10,14,16-18H,3-5,11-12H2,1-2H3
InChIKeyIFEYSCAIDMTXFJ-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-(2-phenylprop-2-enyl)pentan-2-amine
CID 113288163
1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
CID 106286228
2-methyl-N-(2-phenylprop-2-enyl)prop-2-en-1-amine
CID 114616833
N-(2-phenylprop-2-enyl)butan-2-amine
CID 81332865
3-methyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 90318133
3-phenyl-N-(2-phenylprop-2-enyl)butan-1-amine
CID 115328287
2-phenyl-N-prop-1-en-2-ylprop-2-en-1-amine
CID 134356693
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
N-(cyclopropylmethyl)-2-phenylprop-2-en-1-amine
CID 78921499
2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106292785
7-methyl-N-(2-phenylprop-2-enyl)octan-1-amine
CID 107814964
3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol (CID 106285486) is 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is C=C(CNCC(O)C(CC)CC)c1ccccc1.
What is the InChIKey of 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
The InChIKey is IFEYSCAIDMTXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-14(5-2)16(18)12-17-11-13(3)15-9-7-6-8-10-15/h6-10,14,16-18H,3-5,11-12H2,1-2H3.
What are the key properties of 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol?
3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-phenylprop-2-enylamino)pentan-2-ol is sourced from PubChem (CID 106285486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).