N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C16H20FNO — CID 114375390

IUPACN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1oc2ccc(F)cc2c1C1CC1
InChIInChI=1S/C16H20FNO/c1-10(2)8-18-9-15-16(11-3-4-11)13-7-12(17)5-6-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKeyMIQFEBUVYCPEIA-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.19
Rot. Bonds5

About N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114375390) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID114375390
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC NameN-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1oc2ccc(F)cc2c1C1CC1
InChIInChI=1S/C16H20FNO/c1-10(2)8-18-9-15-16(11-3-4-11)13-7-12(17)5-6-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3
InChIKeyMIQFEBUVYCPEIA-UHFFFAOYSA-N
XLogP4.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375397
N-[(3-cyclopropyl-5-propyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377188
N-[(3-tert-butyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114375396
N-[(4,6-dichloro-3-cyclopropyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 114377035
N-[(3-cyclopropyl-6-fluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 102972365
N-[(3-cyclopropyl-5,7-difluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378264
N-[(7-cyclopropylfuro[2,3-f][1,3]benzodioxol-6-yl)methyl]propan-2-amine
CID 114376554
N-methyl-N-[[2-[(2-methylpropylamino)methyl]-1-benzofuran-3-yl]methyl]cyclopropanamine
CID 62417778
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
N'-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 113405179
N-[(3-cyclopropyl-6-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114374961
2-(cyclopropylmethylamino)-N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 119754065

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 114375390) is N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1oc2ccc(F)cc2c1C1CC1.
What is the InChIKey of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is MIQFEBUVYCPEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(2)8-18-9-15-16(11-3-4-11)13-7-12(17)5-6-14(13)19-15/h5-7,10-11,18H,3-4,8-9H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-5-fluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114375390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).