1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol

C17H23FN2O2 — CID 111579184

IUPAC1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCc1c(F)cccc1-c1ccc(CNCC(O)CN(C)C)o1
InChIInChI=1S/C17H23FN2O2/c1-12-15(5-4-6-16(12)18)17-8-7-14(22-17)10-19-9-13(21)11-20(2)3/h4-8,13,19,21H,9-11H2,1-3H3
InChIKeyDWPCTNLLGWVKKE-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.41
Rot. Bonds7

About 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol

1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol (PubChem CID 111579184) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
PubChem CID111579184
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
SMILESCc1c(F)cccc1-c1ccc(CNCC(O)CN(C)C)o1
InChIInChI=1S/C17H23FN2O2/c1-12-15(5-4-6-16(12)18)17-8-7-14(22-17)10-19-9-13(21)11-20(2)3/h4-8,13,19,21H,9-11H2,1-3H3
InChIKeyDWPCTNLLGWVKKE-UHFFFAOYSA-N
XLogP2.41
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
CID 100614726
4,4-difluoro-2-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-hydroxy-3-methylbutanoic acid
CID 167880385
(2R)-1-[[5-(2-fluorophenyl)furan-2-yl]methylamino]-3-morpholin-4-ylpropan-2-ol
CID 8024988
(1S)-2-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]-1-phenylethanol
CID 8636993
2-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 146123359
1-(dimethylamino)-3-[(5-fluoro-1-benzofuran-2-yl)methylamino]propan-2-ol
CID 111579203
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
5-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-4-methylpentan-2-ol
CID 111448827
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-3-methylbutan-1-amine;hydrochloride
CID 17210608
1-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-methylbutan-2-ol
CID 119134619

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol (CID 111579184) is 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol is Cc1c(F)cccc1-c1ccc(CNCC(O)CN(C)C)o1.
What is the InChIKey of 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
The InChIKey is DWPCTNLLGWVKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-12-15(5-4-6-16(12)18)17-8-7-14(22-17)10-19-9-13(21)11-20(2)3/h4-8,13,19,21H,9-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol?
1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol has a molecular weight of 306.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol is sourced from PubChem (CID 111579184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).