[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol

C16H20N2O3 — CID 64578214

IUPAC[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C16H20N2O3/c19-12-16-6-5-15(21-16)11-17-13-1-3-14(4-2-13)18-7-9-20-10-8-18/h1-6,17,19H,7-12H2
InChIKeyDKCQRHMKKKVUDJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.22
Rot. Bonds5

About [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol

[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol (PubChem CID 64578214) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
PubChem CID64578214
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(N3CCOCC3)cc2)o1
InChIInChI=1S/C16H20N2O3/c19-12-16-6-5-15(21-16)11-17-13-1-3-14(4-2-13)18-7-9-20-10-8-18/h1-6,17,19H,7-12H2
InChIKeyDKCQRHMKKKVUDJ-UHFFFAOYSA-N
XLogP2.22
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[5-[(2-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64580535
N-[(5-ethylfuran-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 62347242
4-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)aniline
CID 63180269
N-(2,2-dimethylpropyl)-4-morpholin-4-ylaniline
CID 20785895
(4-morpholin-4-ylphenyl)methanol
CID 2776456
(4-morpholin-4-ylphenyl)hydrazine;hydrochloride
CID 69411327
2-hydroxy-2-methyl-3-(4-morpholin-4-ylanilino)propanoic acid
CID 104644459
N-[(2-methoxyphenyl)methyl]-4-morpholin-4-ylaniline;hydrochloride
CID 163329675
2-methyl-2-[(4-morpholin-4-ylanilino)methyl]butan-1-ol
CID 81411111
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
methyl 3-(4-morpholin-4-ylanilino)propanoate
CID 63180474
4-morpholin-4-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685189

Frequently Asked Questions

What is the IUPAC name of [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol (CID 64578214) is [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(N3CCOCC3)cc2)o1.
What is the InChIKey of [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol?
The InChIKey is DKCQRHMKKKVUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-12-16-6-5-15(21-16)11-17-13-1-3-14(4-2-13)18-7-9-20-10-8-18/h1-6,17,19H,7-12H2.
What are the key properties of [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol?
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol has a molecular weight of 288.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).