(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

C20H29NO3 — CID 93161816

IUPAC(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCC(C)C)o1
InChIInChI=1S/C20H29NO3/c1-16(2)14-23-15-19(22)12-21(11-18-7-5-4-6-8-18)13-20-10-9-17(3)24-20/h4-10,16,19,22H,11-15H2,1-3H3/t19-/m1/s1
InChIKeyLQSNJQDUWBOFKU-LJQANCHMSA-N
MW331.46 g/mol
LogP3.62
Rot. Bonds10

About (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol

(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 93161816) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID93161816
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
SMILESCc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCC(C)C)o1
InChIInChI=1S/C20H29NO3/c1-16(2)14-23-15-19(22)12-21(11-18-7-5-4-6-8-18)13-20-10-9-17(3)24-20/h4-10,16,19,22H,11-15H2,1-3H3/t19-/m1/s1
InChIKeyLQSNJQDUWBOFKU-LJQANCHMSA-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

Analyze (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol with MolForge

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Related Compounds

1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 46007114
(2S)-1-[benzyl-[(4-methylphenyl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93163720
1-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 42682228
1-[benzyl(2-methylpropyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713638
(2R)-1-[cyclopropylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 93161968
1-[3-methoxypropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 24713531
1-[3-methylbutyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-2-ol
CID 46007121
1-[benzyl(oxolan-2-ylmethyl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713650
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
1-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713535
(2R)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylmethoxypropan-2-ol
CID 93161864
1-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenoxypropan-2-ol
CID 42682239

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol (CID 93161816) is (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is Cc1ccc(CN(Cc2ccccc2)C[C@@H](O)COCC(C)C)o1.
What is the InChIKey of (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is LQSNJQDUWBOFKU-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29NO3/c1-16(2)14-23-15-19(22)12-21(11-18-7-5-4-6-8-18)13-20-10-9-17(3)24-20/h4-10,16,19,22H,11-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol?
(2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)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 (2R)-1-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 93161816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).