2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

C14H16ClNO — CID 62505102

IUPAC2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C14H16ClNO/c1-10-6-7-14(17-10)13(16-2)9-11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3
InChIKeyXXFFTADZWTYEBX-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.74
Rot. Bonds4

About 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine

2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 62505102) has the molecular formula C14H16ClNO and a molecular weight of 249.74 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
PubChem CID62505102
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1ccc(C)o1
InChIInChI=1S/C14H16ClNO/c1-10-6-7-14(17-10)13(16-2)9-11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3
InChIKeyXXFFTADZWTYEBX-UHFFFAOYSA-N
XLogP3.74
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 114821301
1-(1-benzofuran-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 62504958
2-(3-chlorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 62504774
2-(3-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 63412206
2-(3-chlorophenyl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 55187555
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115844818
2-(3-chlorophenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylethanamine
CID 114727688
2-(3-chlorophenyl)-N-methyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105085790
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
2-(3-chlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881297

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine (CID 62505102) is 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is CNC(Cc1cccc(Cl)c1)c1ccc(C)o1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is XXFFTADZWTYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-6-7-14(17-10)13(16-2)9-11-4-3-5-12(15)8-11/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine?
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 249.74 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 62505102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).