(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol

C9H15NO2 — CID 103884242

IUPAC(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCc1ccoc1CNC[C@@H](C)O
InChIInChI=1S/C9H15NO2/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyYIEXLXNUYMCBKZ-MRVPVSSYSA-N
MW169.22 g/mol
LogP1.06
Rot. Bonds4

About (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol

(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol (PubChem CID 103884242) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
PubChem CID103884242
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
SMILESCc1ccoc1CNC[C@@H](C)O
InChIInChI=1S/C9H15NO2/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyYIEXLXNUYMCBKZ-MRVPVSSYSA-N
XLogP1.06
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397
3-methyl-N-[(3-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115652029
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
CID 115683798
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
3-[[(3-methylfuran-2-yl)methylamino]methyl]pentan-3-ol
CID 111466539
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol (CID 103884242) is (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol is Cc1ccoc1CNC[C@@H](C)O.
What is the InChIKey of (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol?
The InChIKey is YIEXLXNUYMCBKZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-3-4-12-9(7)6-10-5-8(2)11/h3-4,8,10-11H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol?
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103884242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).