1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol

C20H29NO3 — CID 46006706

IUPAC1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
SMILESCc1ccc(CN(CC(C)C)CC(O)COCc2ccco2)cc1
InChIInChI=1S/C20H29NO3/c1-16(2)11-21(12-18-8-6-17(3)7-9-18)13-19(22)14-23-15-20-5-4-10-24-20/h4-10,16,19,22H,11-15H2,1-3H3
InChIKeyBQTLIKAVWPRLEU-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.62
Rot. Bonds10

About 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol

1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol (PubChem CID 46006706) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
PubChem CID46006706
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
SMILESCc1ccc(CN(CC(C)C)CC(O)COCc2ccco2)cc1
InChIInChI=1S/C20H29NO3/c1-16(2)11-21(12-18-8-6-17(3)7-9-18)13-19(22)14-23-15-20-5-4-10-24-20/h4-10,16,19,22H,11-15H2,1-3H3
InChIKeyBQTLIKAVWPRLEU-UHFFFAOYSA-N
XLogP3.62
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol
CID 93162960
1-[(4-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 46007562
(2S)-1-[(3,4-dimethoxyphenyl)methyl-(2-methylpropyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93160824
1-(dibenzylamino)-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682210
(2R)-1-[(2,5-dimethylphenyl)methyl-[(4-fluorophenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164737
(2S)-1-[furan-2-ylmethyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161246
(2R)-1-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164063
(2S)-1-(furan-2-ylmethoxy)-3-[(3-methylphenyl)methyl-propylamino]propan-2-ol
CID 93163051
(2R)-1-[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93164009
1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 42682208
(2S)-1-[benzyl(2-methoxyethyl)amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93146968
(2S)-1-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-3-(furan-2-ylmethoxy)propan-2-ol
CID 93163380

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol?
The IUPAC name of 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol (CID 46006706) is 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol.
What is the SMILES notation for 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol?
The canonical SMILES for 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol is Cc1ccc(CN(CC(C)C)CC(O)COCc2ccco2)cc1.
What is the InChIKey of 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol?
The InChIKey is BQTLIKAVWPRLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-16(2)11-21(12-18-8-6-17(3)7-9-18)13-19(22)14-23-15-20-5-4-10-24-20/h4-10,16,19,22H,11-15H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol?
1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol has a molecular weight of 331.46 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethoxy)-3-[(4-methylphenyl)methyl-(2-methylpropyl)amino]propan-2-ol is sourced from PubChem (CID 46006706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).