1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

C20H27F2NO3 — CID 46007333

IUPAC1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC(C)CCN(Cc1ccc(F)cc1F)CC(O)COCc1ccco1
InChIInChI=1S/C20H27F2NO3/c1-15(2)7-8-23(11-16-5-6-17(21)10-20(16)22)12-18(24)13-25-14-19-4-3-9-26-19/h3-6,9-10,15,18,24H,7-8,11-14H2,1-2H3
InChIKeyJXSPVRLFWNPIDJ-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.98
Rot. Bonds11

About 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol

1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (PubChem CID 46007333) has the molecular formula C20H27F2NO3 and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
PubChem CID46007333
Molecular FormulaC20H27F2NO3
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
SMILESCC(C)CCN(Cc1ccc(F)cc1F)CC(O)COCc1ccco1
InChIInChI=1S/C20H27F2NO3/c1-15(2)7-8-23(11-16-5-6-17(21)10-20(16)22)12-18(24)13-25-14-19-4-3-9-26-19/h3-6,9-10,15,18,24H,7-8,11-14H2,1-2H3
InChIKeyJXSPVRLFWNPIDJ-UHFFFAOYSA-N
XLogP3.98
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(2,4-difluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 129426025
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 42837102
(2R)-1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 93164792
(2S)-1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(5-methylthiophen-2-yl)methyl]amino]propan-2-ol
CID 93163676
1-(furan-2-ylmethoxy)-3-[3-methylbutyl-[(1-methylpyrrol-2-yl)methyl]amino]propan-2-ol
CID 24715644
1-[(2,4-difluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 46007913
(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164737
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
(2S)-1-[(4-fluorophenyl)methyl-(3-methoxypropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160750
1-[(3-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007950
(2R)-1-[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93164298
(2R)-1-(furan-2-ylmethoxy)-3-[(2-methylphenyl)methyl-propylamino]propan-2-ol
CID 93162765

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol (CID 46007333) is 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is CC(C)CCN(Cc1ccc(F)cc1F)CC(O)COCc1ccco1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
The InChIKey is JXSPVRLFWNPIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO3/c1-15(2)7-8-23(11-16-5-6-17(21)10-20(16)22)12-18(24)13-25-14-19-4-3-9-26-19/h3-6,9-10,15,18,24H,7-8,11-14H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol?
1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol has a molecular weight of 367.44 g/mol, XLogP of 3.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl-(3-methylbutyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 46007333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).