1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol

C13H23NO2 — CID 75387516

IUPAC1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
SMILESCCC(CC)CNCC(C)(O)c1ccco1
InChIInChI=1S/C13H23NO2/c1-4-11(5-2)9-14-10-13(3,15)12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyCPAZZUHNPBPAQY-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.51
Rot. Bonds7

About 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol

1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol (PubChem CID 75387516) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
PubChem CID75387516
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
SMILESCCC(CC)CNCC(C)(O)c1ccco1
InChIInChI=1S/C13H23NO2/c1-4-11(5-2)9-14-10-13(3,15)12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3
InChIKeyCPAZZUHNPBPAQY-UHFFFAOYSA-N
XLogP2.51
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
CID 111468728
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
CID 111468693
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
2-(furan-2-yl)-1-[(3-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468669
1-[(6-fluoro-2-pyridinyl)amino]-2-(furan-2-yl)propan-2-ol
CID 133323859
2-(furan-2-yl)-1-(pyrazin-2-ylamino)propan-2-ol
CID 133323796
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol (CID 75387516) is 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol is CCC(CC)CNCC(C)(O)c1ccco1.
What is the InChIKey of 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol?
The InChIKey is CPAZZUHNPBPAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-11(5-2)9-14-10-13(3,15)12-7-6-8-16-12/h6-8,11,14-15H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol?
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol has a molecular weight of 225.33 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 75387516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).