3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol

C12H14N2O2 — CID 105472420

IUPAC3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
SMILESNCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C12H14N2O2/c13-7-11-4-5-12(16-11)8-14-9-2-1-3-10(15)6-9/h1-6,14-15H,7-8,13H2
InChIKeyLSQDIZWIPKJQHD-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds4

About 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol

3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol (PubChem CID 105472420) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
PubChem CID105472420
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol
SMILESNCc1ccc(CNc2cccc(O)c2)o1
InChIInChI=1S/C12H14N2O2/c13-7-11-4-5-12(16-11)8-14-9-2-1-3-10(15)6-9/h1-6,14-15H,7-8,13H2
InChIKeyLSQDIZWIPKJQHD-UHFFFAOYSA-N
XLogP2.06
TPSA71.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
3-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]phenol
CID 43771076
N-[[5-(aminomethyl)furan-2-yl]methyl]aniline
CID 23130500
3-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]phenol
CID 43206950
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
[3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenyl]urea
CID 64591407
2-[(3-hydroxyanilino)methyl]benzene-1,3,5-triol
CID 21321371
3-[(3-amino-2-pyridinyl)methylamino]phenol
CID 105468639
3-(ethylamino)phenol
CID 578991
[5-[[3-(dimethylamino)anilino]methyl]furan-2-yl]methanol
CID 113297533
2-(3-hydroxyanilino)acetohydrazide
CID 132888164

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol?
The IUPAC name of 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol (CID 105472420) is 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol.
What is the SMILES notation for 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol?
The canonical SMILES for 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol is NCc1ccc(CNc2cccc(O)c2)o1.
What is the InChIKey of 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol?
The InChIKey is LSQDIZWIPKJQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-7-11-4-5-12(16-11)8-14-9-2-1-3-10(15)6-9/h1-6,14-15H,7-8,13H2.
What are the key properties of 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol?
3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol has a molecular weight of 218.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)furan-2-yl]methylamino]phenol is sourced from PubChem (CID 105472420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).