3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol

C12H21NO2 — CID 60965924

IUPAC3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(CN(CCCO)C(C)C)o1
InChIInChI=1S/C12H21NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyFMYFVXQKUJCXJP-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.18
Rot. Bonds6

About 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol

3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol (PubChem CID 60965924) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
PubChem CID60965924
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol
SMILESCc1ccc(CN(CCCO)C(C)C)o1
InChIInChI=1S/C12H21NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyFMYFVXQKUJCXJP-UHFFFAOYSA-N
XLogP2.18
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
2-[[5-(hydroxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880076
2-[[5-(methoxymethyl)furan-2-yl]methyl-propan-2-ylamino]ethanol
CID 115880051
2-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylacetamide
CID 60947083
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
2,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpropanamide
CID 64593208
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62462162
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
3-[2-(4-methylphenoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62022201
2-[cyclobutyl-[(5-methylfuran-2-yl)methyl]amino]ethanol
CID 102680065
3-[(2-chloro-1,3-thiazol-5-yl)methyl-propan-2-ylamino]propan-1-ol
CID 79764333

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol (CID 60965924) is 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol is Cc1ccc(CN(CCCO)C(C)C)o1.
What is the InChIKey of 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol?
The InChIKey is FMYFVXQKUJCXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)13(7-4-8-14)9-12-6-5-11(3)15-12/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol?
3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 60965924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).