1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol

C14H18N2O2 — CID 62264881

IUPAC1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
SMILESCN(Cc1ccco1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8,14,17H,9-10,15H2,1H3
InChIKeyLKBDPCAQEFYZJI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.03
Rot. Bonds5

About 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol

1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol (PubChem CID 62264881) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
PubChem CID62264881
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
SMILESCN(Cc1ccco1)CC(O)c1ccc(N)cc1
InChIInChI=1S/C14H18N2O2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8,14,17H,9-10,15H2,1H3
InChIKeyLKBDPCAQEFYZJI-UHFFFAOYSA-N
XLogP2.03
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
4-[1-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 61423197
N-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]-N-methylacetamide
CID 43526556
2-[furan-2-ylmethyl(propyl)amino]-1-phenylethanol
CID 42836985
1-(4-aminophenyl)-2-[methyl(pentan-3-yl)amino]ethanol
CID 62265577
1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
CID 62266490
3-[[2-(4-aminophenyl)-2-hydroxyethyl]-methylamino]propanenitrile
CID 62265917
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial
CID 143644084
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317433

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol (CID 62264881) is 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol is CN(Cc1ccco1)CC(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol?
The InChIKey is LKBDPCAQEFYZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16(9-13-3-2-8-18-13)10-14(17)11-4-6-12(15)7-5-11/h2-8,14,17H,9-10,15H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol?
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 62264881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).