1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C14H16ClNO2 — CID 104545900

IUPAC1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)c1ccoc1C
InChIInChI=1S/C14H16ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-8,14,16H,1-3H3
InChIKeyBQTZDLFJHZEJKN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.56
Rot. Bonds4

About 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 104545900) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID104545900
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Cl)ccc1OC)c1ccoc1C
InChIInChI=1S/C14H16ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-8,14,16H,1-3H3
InChIKeyBQTZDLFJHZEJKN-UHFFFAOYSA-N
XLogP3.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(2-chloro-4,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113319429
1-(2-chlorofuran-3-yl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 106691466
N-methyl-1-(2-methylfuran-3-yl)-1-(2,4,6-trimethoxyphenyl)methanamine
CID 43482991
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 62789375
1-(5-chloro-2-methoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 43481650
1-(5-bromo-2-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)-N-methylmethanamine
CID 43480054
1-(5-chloro-2-methoxyphenyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43561335
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 104545900) is 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc(Cl)ccc1OC)c1ccoc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is BQTZDLFJHZEJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9-11(6-7-18-9)14(16-2)12-8-10(15)4-5-13(12)17-3/h4-8,14,16H,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 265.74 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 104545900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).