4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol

C12H12ClNO2 — CID 115572171

IUPAC4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Cl)o2)cc1
InChIInChI=1S/C12H12ClNO2/c13-12-6-5-11(16-12)8-14-7-9-1-3-10(15)4-2-9/h1-6,14-15H,7-8H2
InChIKeyOCOMQKBKCYNYBW-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.93
Rot. Bonds4

About 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol

4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol (PubChem CID 115572171) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
PubChem CID115572171
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
SMILESOc1ccc(CNCc2ccc(Cl)o2)cc1
InChIInChI=1S/C12H12ClNO2/c13-12-6-5-11(16-12)8-14-7-9-1-3-10(15)4-2-9/h1-6,14-15H,7-8H2
InChIKeyOCOMQKBKCYNYBW-UHFFFAOYSA-N
XLogP2.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(furan-2-ylmethyl)benzamide
CID 720138
4-({[(Furan-2-yl)methyl]amino}methyl)phenol
CID 4279464
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7380204
[5-(3,5-Dichlorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425172
3-(4-Chloro-phenyl)-N-furan-2-ylmethyl-acrylamide
CID 692393
N-(2-Chloro-benzyl)-N'-furan-2-ylmethyl-oxalamide
CID 3102549
4-(2-{1-[(5-Chloro-2-furyl)methyl]piperidin-2-yl}ethyl)phenol
CID 77085815
{[5-(4-Chlorophenyl)furan-2-yl]methyl}(methyl)amine hydrochloride
CID 16247268
3-(2-chlorophenyl)-N-(2-furylmethyl)acrylamide
CID 692527
(E)-3-(5-chlorofuran-2-yl)-2-cyano-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 71508278
Furan-2-ylmethyl-(4-methoxy-benzyl)-amine
CID 791962
Benzyl-(5-methyl-furan-2-ylmethyl)-amine
CID 846122

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol (CID 115572171) is 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol is Oc1ccc(CNCc2ccc(Cl)o2)cc1.
What is the InChIKey of 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol?
The InChIKey is OCOMQKBKCYNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-12-6-5-11(16-12)8-14-7-9-1-3-10(15)4-2-9/h1-6,14-15H,7-8H2.
What are the key properties of 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol?
4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol has a molecular weight of 237.69 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol is sourced from PubChem (CID 115572171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).