1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C16H20FNO — CID 105046277

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1cc2cc(F)ccc2o1)C1(C)CCCC1
InChIInChI=1S/C16H20FNO/c1-16(7-3-4-8-16)15(18-2)14-10-11-9-12(17)5-6-13(11)19-14/h5-6,9-10,15,18H,3-4,7-8H2,1-2H3
InChIKeyRBLURGMECFXJOD-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.41
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 105046277) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID105046277
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(c1cc2cc(F)ccc2o1)C1(C)CCCC1
InChIInChI=1S/C16H20FNO/c1-16(7-3-4-8-16)15(18-2)14-10-11-9-12(17)5-6-13(11)19-14/h5-6,9-10,15,18H,3-4,7-8H2,1-2H3
InChIKeyRBLURGMECFXJOD-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
N-[(5-fluoro-1-benzofuran-2-yl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 114730943
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 115852569
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114727953
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
1-(1-methoxycyclohexyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114731419
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(5-chloro-1-benzofuran-2-yl)-1-(1-ethylcyclopentyl)-N-methylmethanamine
CID 105045875
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 114730060
[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
1-(5-fluoro-1-benzofuran-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114730411

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 105046277) is 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CNC(c1cc2cc(F)ccc2o1)C1(C)CCCC1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is RBLURGMECFXJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-16(7-3-4-8-16)15(18-2)14-10-11-9-12(17)5-6-13(11)19-14/h5-6,9-10,15,18H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 261.34 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 105046277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).