3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol

C10H17NO2 — CID 65392790

IUPAC3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1ccco1
InChIInChI=1S/C10H17NO2/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyMFMRYRHWMGFJJE-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.17
Rot. Bonds4

About 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol

3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol (PubChem CID 65392790) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
PubChem CID65392790
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol
SMILESCC(O)C(C)(CN)Cc1ccco1
InChIInChI=1S/C10H17NO2/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyMFMRYRHWMGFJJE-UHFFFAOYSA-N
XLogP1.17
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-ylmethylamino)-3-methylbutan-2-ol
CID 115866780
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
2-(furan-2-ylmethoxy)-2-methylpropan-1-amine
CID 62355609
1-(furan-2-ylmethoxy)ethanol
CID 20517704
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
3-(furan-2-yl)-2-methyl-2-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 117048652
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
2-fluoro-3-(furan-2-yl)-2-phenylpropan-1-amine
CID 112566397
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
1-(furan-2-yl)-3-methyl-3-phenylbutan-2-ol
CID 83172363
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol (CID 65392790) is 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol is CC(O)C(C)(CN)Cc1ccco1.
What is the InChIKey of 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol?
The InChIKey is MFMRYRHWMGFJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)10(2,7-11)6-9-4-3-5-13-9/h3-5,8,12H,6-7,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol?
3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-(furan-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 65392790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).