1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol

C17H23NO3 — CID 81392115

IUPAC1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN[C@H](C)c2ccco2)c(C)c1
InChIInChI=1S/C17H23NO3/c1-12-6-7-16(13(2)9-12)21-11-15(19)10-18-14(3)17-5-4-8-20-17/h4-9,14-15,18-19H,10-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyJHUGDYWBWCYYMC-GICMACPYSA-N
MW289.38 g/mol
LogP2.99
Rot. Bonds7

About 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol

1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol (PubChem CID 81392115) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
PubChem CID81392115
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol
SMILESCc1ccc(OCC(O)CN[C@H](C)c2ccco2)c(C)c1
InChIInChI=1S/C17H23NO3/c1-12-6-7-16(13(2)9-12)21-11-15(19)10-18-14(3)17-5-4-8-20-17/h4-9,14-15,18-19H,10-11H2,1-3H3/t14-,15?/m1/s1
InChIKeyJHUGDYWBWCYYMC-GICMACPYSA-N
XLogP2.99
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-[1-(3-chlorophenyl)ethylamino]-3-(2,4-dimethylphenoxy)propan-2-ol;hydrochloride
CID 138960420
1-[1-(furan-2-yl)ethylamino]-3-(3-methoxyphenoxy)propan-2-ol
CID 60909460
1-(3-bromophenoxy)-3-[[(1S)-1-(furan-2-yl)ethyl]amino]propan-2-ol
CID 81399740
(2R)-1-(2,5-dimethylphenoxy)-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 7024944
(2R)-1-(2,4-dimethylphenoxy)-3-[[(2R)-1-(1-methylcyclopropyl)propan-2-yl]amino]propan-2-ol
CID 39818664
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-[1-(furan-2-yl)ethylamino]-3-(1-phenylethoxy)propan-2-ol
CID 60910178
1-(2,4-dimethylphenoxy)-3-(morpholin-4-ylamino)propan-2-ol
CID 83021283
2-[1-(furan-2-yl)ethylamino]-1-(3-methylphenyl)ethanol
CID 84595635
1-(2,4-dimethylphenoxy)-3-(hex-1-yn-3-ylamino)propan-2-ol
CID 106229993
1-bromo-3-(2,4-dimethylphenoxy)propan-2-ol
CID 112560473

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol (CID 81392115) is 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol is Cc1ccc(OCC(O)CN[C@H](C)c2ccco2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
The InChIKey is JHUGDYWBWCYYMC-GICMACPYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-12-6-7-16(13(2)9-12)21-11-15(19)10-18-14(3)17-5-4-8-20-17/h4-9,14-15,18-19H,10-11H2,1-3H3/t14-,15?/m1/s1.
What are the key properties of 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol?
1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenoxy)-3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 81392115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).