2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine

C14H15ClFNO — CID 104804658

IUPAC2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1occc1C
InChIInChI=1S/C14H15ClFNO/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyDCJVUGMYGRQNAO-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.88
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine

2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine (PubChem CID 104804658) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
PubChem CID104804658
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
SMILESCNC(Cc1ccc(F)cc1Cl)c1occc1C
InChIInChI=1S/C14H15ClFNO/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3
InChIKeyDCJVUGMYGRQNAO-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)ethanamine
CID 115840518
1-(3-bromo-4-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840570
[2-(2-bromo-4-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269345
1,3-bis(2-chloro-4-fluorophenyl)-N-methylpropan-2-amine
CID 63419768
N-[2-(2,4-dichlorophenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806129
2-(2,5-difluorophenyl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805432
[2-(2-chloro-4-fluorophenyl)-1-(furan-2-yl)ethyl]hydrazine
CID 105213440
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155784
[2-(2-bromo-5-fluorophenyl)-1-(3-methylfuran-2-yl)ethyl]hydrazine
CID 105269473
1-(3-bromo-5-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840406
1-(4-bromothiophen-3-yl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 79595107

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine (CID 104804658) is 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine is CNC(Cc1ccc(F)cc1Cl)c1occc1C.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
The InChIKey is DCJVUGMYGRQNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-9-5-6-18-14(9)13(17-2)7-10-3-4-11(16)8-12(10)15/h3-6,8,13,17H,7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine?
2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine has a molecular weight of 267.73 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 104804658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).