(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol

C9H15NO2 — CID 106932749

IUPAC(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)Cc1ccoc1
InChIInChI=1S/C9H15NO2/c1-8(11)5-10(2)6-9-3-4-12-7-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyMPBWVBAWUYJBIX-QMMMGPOBSA-N
MW169.22 g/mol
LogP1.09
Rot. Bonds4

About (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol

(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol (PubChem CID 106932749) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
PubChem CID106932749
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
SMILESC[C@H](O)CN(C)Cc1ccoc1
InChIInChI=1S/C9H15NO2/c1-8(11)5-10(2)6-9-3-4-12-7-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyMPBWVBAWUYJBIX-QMMMGPOBSA-N
XLogP1.09
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-Furylmethyl)-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190052
Ethyl((furan-3-yl)methyl)amine
CID 23383580
2-[4-(3-Furylmethyl)-1-isopropylpiperazin-2-yl]ethanol
CID 16187473
2-[4-(3-Furylmethyl)-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16191018
1-(Furan-3-ylmethyl)-4-methylpiperazine
CID 2173551
1-Ethyl-4-(3-furylmethyl)piperazine
CID 2837943
N,N-Diethyl-3-furancarboxamide
CID 10702238
1-(furan-3-yl)-N-methylmethanamine
CID 13112617
[(Furan-3-yl)methyl](2-methylpropyl)amine hydrochloride
CID 167715635
N-ethyl-N-(furan-3-ylmethyl)ethanamine
CID 54164025
tert-butyl N-ethyl-N-(furan-3-ylmethyl)carbamate
CID 60279176
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 71803996

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol (CID 106932749) is (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol is C[C@H](O)CN(C)Cc1ccoc1.
What is the InChIKey of (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol?
The InChIKey is MPBWVBAWUYJBIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)5-10(2)6-9-3-4-12-7-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol?
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol has a molecular weight of 169.22 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol is sourced from PubChem (CID 106932749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).