1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol

C11H19NO2 — CID 115723893

IUPAC1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
SMILESCCC(C)NCC(C)(O)c1ccco1
InChIInChI=1S/C11H19NO2/c1-4-9(2)12-8-11(3,13)10-6-5-7-14-10/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyWBBOIMHGRNCSCE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.88
Rot. Bonds5

About 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol

1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol (PubChem CID 115723893) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
PubChem CID115723893
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
SMILESCCC(C)NCC(C)(O)c1ccco1
InChIInChI=1S/C11H19NO2/c1-4-9(2)12-8-11(3,13)10-6-5-7-14-10/h5-7,9,12-13H,4,8H2,1-3H3
InChIKeyWBBOIMHGRNCSCE-UHFFFAOYSA-N
XLogP1.88
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
(3R)-N-(4-chlorophenyl)-3-[[(2R)-2-(furan-2-yl)-2-hydroxypropyl]amino]butanamide
CID 97232876
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylpentanamide
CID 111482352
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]urea
CID 95934768
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
(2S)-1-[[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]amino]-2-(furan-2-yl)propan-2-ol
CID 97232870
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[1-(2-methylpropoxy)propan-2-yl]urea
CID 111480769
N-[1-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 111482737
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934

Frequently Asked Questions

What is the IUPAC name of 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol?
The IUPAC name of 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol (CID 115723893) is 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol.
What is the SMILES notation for 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol?
The canonical SMILES for 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol is CCC(C)NCC(C)(O)c1ccco1.
What is the InChIKey of 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol?
The InChIKey is WBBOIMHGRNCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-9(2)12-8-11(3,13)10-6-5-7-14-10/h5-7,9,12-13H,4,8H2,1-3H3.
What are the key properties of 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol?
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol is sourced from PubChem (CID 115723893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).