1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine

C16H15ClFNO — CID 63018999

IUPAC1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO/c1-19-16(14-5-4-13(17)7-15(14)18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16,19H,8-9H2,1H3
InChIKeyMVJRNRHJYRWUAO-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.82
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine

1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 63018999) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
PubChem CID63018999
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)COC2)c1ccc(Cl)cc1F
InChIInChI=1S/C16H15ClFNO/c1-19-16(14-5-4-13(17)7-15(14)18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16,19H,8-9H2,1H3
InChIKeyMVJRNRHJYRWUAO-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 82875403
1-(2,3-difluoro-4-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107515480
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63186146
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
1-(4-chloro-2-fluorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 63081255
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(4-chloro-2-fluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylmethanamine
CID 106848824
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105010610
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(2-bromo-3-methylphenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107982028

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine (CID 63018999) is 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)COC2)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is MVJRNRHJYRWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-19-16(14-5-4-13(17)7-15(14)18)10-2-3-11-8-20-9-12(11)6-10/h2-7,16,19H,8-9H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine?
1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 291.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 63018999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).