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

C14H16ClNO — CID 114821301

IUPAC2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1coc(C)c1
InChIInChI=1S/C14H16ClNO/c1-10-6-12(9-17-10)14(16-2)8-11-4-3-5-13(15)7-11/h3-7,9,14,16H,8H2,1-2H3
InChIKeyRVSJBUXUMYMBEL-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.74
Rot. Bonds4

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

2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine (PubChem CID 114821301) 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-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
PubChem CID114821301
Molecular FormulaC14H16ClNO
Molecular Weight249.74 g/mol
Exact Mass249.09
IUPAC Name2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1cccc(Cl)c1)c1coc(C)c1
InChIInChI=1S/C14H16ClNO/c1-10-6-12(9-17-10)14(16-2)8-11-4-3-5-13(15)7-11/h3-7,9,14,16H,8H2,1-2H3
InChIKeyRVSJBUXUMYMBEL-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)-1-(5-methylfuran-3-yl)ethanol
CID 114822934
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 62505102
N-methyl-1-(5-methylfuran-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844127
N-methyl-1-(5-methylfuran-3-yl)-2-(4-methylphenyl)ethanamine
CID 114821279
2-(2,4-dichlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115839913
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 60819659
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine (CID 114821301) is 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine is CNC(Cc1cccc(Cl)c1)c1coc(C)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
The InChIKey is RVSJBUXUMYMBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO/c1-10-6-12(9-17-10)14(16-2)8-11-4-3-5-13(15)7-11/h3-7,9,14,16H,8H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine?
2-(3-chlorophenyl)-N-methyl-1-(5-methylfuran-3-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-3-yl)ethanamine is sourced from PubChem (CID 114821301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).