2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol

C17H29NO2 — CID 102988159

IUPAC2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
SMILESCCCC(C)OCCC(CO)(NCC)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-4-9-15(3)20-13-12-17(14-19,18-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,18-19H,4-5,9,12-14H2,1-3H3
InChIKeyVWWFKWUNTGXHHP-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.08
Rot. Bonds10

About 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol

2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol (PubChem CID 102988159) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
PubChem CID102988159
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol
SMILESCCCC(C)OCCC(CO)(NCC)c1ccccc1
InChIInChI=1S/C17H29NO2/c1-4-9-15(3)20-13-12-17(14-19,18-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,18-19H,4-5,9,12-14H2,1-3H3
InChIKeyVWWFKWUNTGXHHP-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-butan-2-yloxy-2-(ethylamino)-2-phenylbutan-1-ol
CID 116695550
2-(ethylamino)-2-phenyl-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
CID 116695560
2-(ethylamino)-2-phenyl-4-(2-propan-2-yloxyethoxy)butan-1-ol
CID 116695489
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
2-(ethylamino)-2-phenyl-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 116695123
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
4-ethoxy-2-phenyl-2-(propan-2-ylamino)butan-1-ol
CID 116694277
2-(ethylamino)-4-[3-methoxypropyl(methyl)amino]-2-phenylbutan-1-ol
CID 116694993
2-(ethylamino)-3-methylsulfanyl-2-phenylpropan-1-ol
CID 64806014
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol?
The IUPAC name of 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol (CID 102988159) is 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol is CCCC(C)OCCC(CO)(NCC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol?
The InChIKey is VWWFKWUNTGXHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-4-9-15(3)20-13-12-17(14-19,18-5-2)16-10-7-6-8-11-16/h6-8,10-11,15,18-19H,4-5,9,12-14H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol?
2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol has a molecular weight of 279.42 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-pentan-2-yloxy-2-phenylbutan-1-ol is sourced from PubChem (CID 102988159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).