(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol

C17H23NO2 — CID 104926136

IUPAC(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(CCc1ccco1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14(9-10-17-8-5-11-20-17)18-16(13-19)12-15-6-3-2-4-7-15/h2-8,11,14,16,18-19H,9-10,12-13H2,1H3/t14?,16-/m1/s1
InChIKeyXOAGJLJIPVWBEW-BZSJEYESSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds8

About (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol

(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol (PubChem CID 104926136) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
PubChem CID104926136
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
SMILESCC(CCc1ccco1)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C17H23NO2/c1-14(9-10-17-8-5-11-20-17)18-16(13-19)12-15-6-3-2-4-7-15/h2-8,11,14,16,18-19H,9-10,12-13H2,1H3/t14?,16-/m1/s1
InChIKeyXOAGJLJIPVWBEW-BZSJEYESSA-N
XLogP2.79
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
CID 114210422
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
5-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]furan-2-carboxylic acid
CID 103246849
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
4-(furan-2-yl)-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81374293

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol?
The IUPAC name of (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol (CID 104926136) is (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol?
The canonical SMILES for (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol is CC(CCc1ccco1)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol?
The InChIKey is XOAGJLJIPVWBEW-BZSJEYESSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14(9-10-17-8-5-11-20-17)18-16(13-19)12-15-6-3-2-4-7-15/h2-8,11,14,16,18-19H,9-10,12-13H2,1H3/t14?,16-/m1/s1.
What are the key properties of (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol?
(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol is sourced from PubChem (CID 104926136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).