N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

C17H22FNO2 — CID 107661326

IUPACN-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(OCc2ccoc2CNC(C)(C)C)c1F
InChIInChI=1S/C17H22FNO2/c1-12-6-5-7-14(16(12)18)21-11-13-8-9-20-15(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyYOTFUEYCHWZBJP-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.19
Rot. Bonds5

About N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine

N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107661326) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID107661326
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC NameN-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1cccc(OCc2ccoc2CNC(C)(C)C)c1F
InChIInChI=1S/C17H22FNO2/c1-12-6-5-7-14(16(12)18)21-11-13-8-9-20-15(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3
InChIKeyYOTFUEYCHWZBJP-UHFFFAOYSA-N
XLogP4.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 107661174
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 107661302
N-[[3-[(2-fluorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63936374
N-[[3-[(2-chloro-5-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62486962
N-[[3-[(2,3-dimethylphenoxy)methyl]furan-2-yl]methyl]ethanamine
CID 62452440
2-methyl-N-[[3-(phenylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62444839
N-[[5-[(2-fluoro-3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107661175
N-[[3-[(3-chlorophenyl)methoxymethyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 65125402
2-[(2-fluoro-3-methylphenoxy)methyl]furan
CID 107661924
N-[[3-(cyclopentyloxymethyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 55072771
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1-[3-[(2-tert-butyl-4-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62449489

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine (CID 107661326) is N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is Cc1cccc(OCc2ccoc2CNC(C)(C)C)c1F.
What is the InChIKey of N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YOTFUEYCHWZBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-12-6-5-7-14(16(12)18)21-11-13-8-9-20-15(13)10-19-17(2,3)4/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.37 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-fluoro-3-methylphenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107661326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).