1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol

C16H20N2O2 — CID 62266490

IUPAC1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
SMILESNc1cccc(C(O)CN(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c17-13-4-1-3-12(9-13)16(19)11-18(14-6-7-14)10-15-5-2-8-20-15/h1-5,8-9,14,16,19H,6-7,10-11,17H2
InChIKeyIHJWXXDXGXCIEC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds6

About 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol

1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol (PubChem CID 62266490) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
PubChem CID62266490
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol
SMILESNc1cccc(C(O)CN(Cc2ccco2)C2CC2)c1
InChIInChI=1S/C16H20N2O2/c17-13-4-1-3-12(9-13)16(19)11-18(14-6-7-14)10-15-5-2-8-20-15/h1-5,8-9,14,16,19H,6-7,10-11,17H2
InChIKeyIHJWXXDXGXCIEC-UHFFFAOYSA-N
XLogP2.56
TPSA62.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
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-(3-aminophenyl)-N-cyclopropyl-N-(furan-2-ylmethyl)propanamide
CID 106591052
N-(3-bromo-2-phenylpropyl)-N-(furan-2-ylmethyl)cyclopropanamine
CID 65015644
1-(cyclopropylamino)-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 55003773
1-butoxy-3-[cyclopropyl(furan-2-ylmethyl)amino]propan-2-ol
CID 107263830
2-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]-6-methylpyrimidin-4-amine
CID 80658148
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
2-[2-[cyclopropyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 55079204
N-cyclopropyl-N-(furan-2-ylmethyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62411687
1-N-cyclopentyl-1-N-(furan-2-ylmethyl)pentane-1,2-diamine
CID 102550766
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
1-(3-bromophenyl)-2-[cyclopropyl(ethyl)amino]ethanol
CID 110885623

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol (CID 62266490) is 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol is Nc1cccc(C(O)CN(Cc2ccco2)C2CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol?
The InChIKey is IHJWXXDXGXCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c17-13-4-1-3-12(9-13)16(19)11-18(14-6-7-14)10-15-5-2-8-20-15/h1-5,8-9,14,16,19H,6-7,10-11,17H2.
What are the key properties of 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol?
1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol has a molecular weight of 272.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 62266490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).