(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol

C11H19NO2 — CID 104980626

IUPAC(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
SMILESCCC(N[C@@H](CC)CO)c1ccco1
InChIInChI=1S/C11H19NO2/c1-3-9(8-13)12-10(4-2)11-6-5-7-14-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyOAMMMMLFTWTCTE-RGURZIINSA-N
MW197.28 g/mol
LogP2.09
Rot. Bonds6

About (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol

(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol (PubChem CID 104980626) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
PubChem CID104980626
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol
SMILESCCC(N[C@@H](CC)CO)c1ccco1
InChIInChI=1S/C11H19NO2/c1-3-9(8-13)12-10(4-2)11-6-5-7-14-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyOAMMMMLFTWTCTE-RGURZIINSA-N
XLogP2.09
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
CID 106156673
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
1-(furan-2-yl)-N-(1-phenylethyl)propan-1-amine
CID 62631959
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
2-(furan-2-ylmethylamino)butan-1-ol
CID 4722612
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
N-[(1R)-1-(4-fluorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81350402
1-(furan-2-yl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399156
N-(1-cyclohexylethyl)-1-(furan-2-yl)propan-1-amine
CID 62631853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol?
The IUPAC name of (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol (CID 104980626) is (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol.
What is the SMILES notation for (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol?
The canonical SMILES for (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol is CCC(N[C@@H](CC)CO)c1ccco1.
What is the InChIKey of (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol?
The InChIKey is OAMMMMLFTWTCTE-RGURZIINSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-9(8-13)12-10(4-2)11-6-5-7-14-11/h5-7,9-10,12-13H,3-4,8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol?
(2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(furan-2-yl)propylamino]butan-1-ol is sourced from PubChem (CID 104980626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).