3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol

C14H17NO2 — CID 43222033

IUPAC3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(C(C)NCc2cccc(O)c2)o1
InChIInChI=1S/C14H17NO2/c1-10-6-7-14(17-10)11(2)15-9-12-4-3-5-13(16)8-12/h3-8,11,15-16H,9H2,1-2H3
InChIKeyGCKOMMAZZOQGBH-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.14
Rot. Bonds4

About 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol

3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol (PubChem CID 43222033) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
PubChem CID43222033
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol
SMILESCc1ccc(C(C)NCc2cccc(O)c2)o1
InChIInChI=1S/C14H17NO2/c1-10-6-7-14(17-10)11(2)15-9-12-4-3-5-13(16)8-12/h3-8,11,15-16H,9H2,1-2H3
InChIKeyGCKOMMAZZOQGBH-UHFFFAOYSA-N
XLogP3.14
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]methanol
CID 113261251
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]benzamide
CID 43664678
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]phenol
CID 113365416
2-methoxy-5-[[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]methyl]phenol
CID 93026528
2-methoxy-5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol;hydrochloride
CID 47008363
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534
N-[(3,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222058
3-[(butan-2-ylamino)methyl]phenol
CID 43177331
2-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenyl]acetic acid
CID 103242341
3-[(2-methylpentan-3-ylamino)methyl]phenol
CID 61468670
3-[[1-(dimethylamino)propan-2-ylamino]methyl]phenol
CID 82946106

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol?
The IUPAC name of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol (CID 43222033) is 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol.
What is the SMILES notation for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol?
The canonical SMILES for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol is Cc1ccc(C(C)NCc2cccc(O)c2)o1.
What is the InChIKey of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol?
The InChIKey is GCKOMMAZZOQGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-6-7-14(17-10)11(2)15-9-12-4-3-5-13(16)8-12/h3-8,11,15-16H,9H2,1-2H3.
What are the key properties of 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol?
3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol has a molecular weight of 231.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(5-methylfuran-2-yl)ethylamino]methyl]phenol is sourced from PubChem (CID 43222033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).