[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol

C16H22N2O3 — CID 64591781

IUPAC[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
SMILESCN(C)CCOc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-11-15-7-8-16(12-19)21-15/h3-8,17,19H,9-12H2,1-2H3
InChIKeyYVCOKRDQQKQYPK-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.32
Rot. Bonds8

About [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol

[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol (PubChem CID 64591781) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
PubChem CID64591781
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol
SMILESCN(C)CCOc1ccc(NCc2ccc(CO)o2)cc1
InChIInChI=1S/C16H22N2O3/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-11-15-7-8-16(12-19)21-15/h3-8,17,19H,9-12H2,1-2H3
InChIKeyYVCOKRDQQKQYPK-UHFFFAOYSA-N
XLogP2.32
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
[5-[[4-[2-(dimethylamino)ethylsulfanyl]anilino]methyl]furan-2-yl]methanol
CID 75430440
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
3-[2-(dimethylamino)ethoxy]-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43720850
4-[2-(dimethylamino)ethoxy]-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 60944044
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[(4-bromophenyl)methyl]-4-[2-(dimethylamino)ethoxy]aniline
CID 60942295
5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-carboxylic acid
CID 63317279
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
[5-[(3,5-dimethoxyanilino)methyl]furan-2-yl]methanol
CID 64578003
1-chloro-3-[4-[2-(dimethylamino)ethoxy]anilino]propan-2-ol
CID 168638697

Frequently Asked Questions

What is the IUPAC name of [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol (CID 64591781) is [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol is CN(C)CCOc1ccc(NCc2ccc(CO)o2)cc1.
What is the InChIKey of [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol?
The InChIKey is YVCOKRDQQKQYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-18(2)9-10-20-14-5-3-13(4-6-14)17-11-15-7-8-16(12-19)21-15/h3-8,17,19H,9-12H2,1-2H3.
What are the key properties of [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol?
[5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol has a molecular weight of 290.36 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[4-[2-(dimethylamino)ethoxy]anilino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 64591781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).