[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol

C14H15NO3 — CID 113345604

IUPAC[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc3c(c2)COC3)o1
InChIInChI=1S/C14H15NO3/c16-7-14-4-3-13(18-14)6-15-12-2-1-10-8-17-9-11(10)5-12/h1-5,15-16H,6-9H2
InChIKeyMUDQLZMYSKRLOS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds4

About [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol

[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol (PubChem CID 113345604) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
PubChem CID113345604
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc3c(c2)COC3)o1
InChIInChI=1S/C14H15NO3/c16-7-14-4-3-13(18-14)6-15-12-2-1-10-8-17-9-11(10)5-12/h1-5,15-16H,6-9H2
InChIKeyMUDQLZMYSKRLOS-UHFFFAOYSA-N
XLogP2.41
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
CID 64578200
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
N-(cyclopropylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 130165125
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
N-(furan-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881537
5-[[5-(hydroxymethyl)furan-2-yl]methylamino]isoindole-1,3-dione
CID 64578974
2-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 64578988
N-[(4-bromothiophen-2-yl)methyl]-1,3-dihydro-2-benzofuran-5-amine
CID 113345249
N-(thiophen-3-ylmethyl)-1,3-dihydro-2-benzofuran-5-amine
CID 115881527
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003

Frequently Asked Questions

What is the IUPAC name of [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol (CID 113345604) is [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc3c(c2)COC3)o1.
What is the InChIKey of [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol?
The InChIKey is MUDQLZMYSKRLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-7-14-4-3-13(18-14)6-15-12-2-1-10-8-17-9-11(10)5-12/h1-5,15-16H,6-9H2.
What are the key properties of [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol?
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol has a molecular weight of 245.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 113345604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).