2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

C12H17ClFNO — CID 102878820

IUPAC2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCN(CCCl)Cc1ccc(OC)cc1F
InChIInChI=1S/C12H17ClFNO/c1-3-15(7-6-13)9-10-4-5-11(16-2)8-12(10)14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyRNFOHMRHFPQXDT-UHFFFAOYSA-N
MW245.72 g/mol
LogP2.89
Rot. Bonds6

About 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine

2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (PubChem CID 102878820) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
PubChem CID102878820
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
SMILESCCN(CCCl)Cc1ccc(OC)cc1F
InChIInChI=1S/C12H17ClFNO/c1-3-15(7-6-13)9-10-4-5-11(16-2)8-12(10)14/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyRNFOHMRHFPQXDT-UHFFFAOYSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]propan-1-amine
CID 102878826
N'-ethyl-N'-[(2-fluoro-4-methoxyphenyl)methyl]ethane-1,2-diamine
CID 102876148
3-[ethyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]propanethioamide
CID 102876762
2-[butyl-[(2-fluoro-4-methoxyphenyl)methyl]amino]ethanol
CID 102878570
[2-[[ethyl(propyl)amino]methyl]-4-methoxyphenyl]boronic acid
CID 65322949
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(2-chloroethyl)-2-methoxyethanamine
CID 113468132
N-[(2-bromo-5-methoxyphenyl)methyl]-2-ethoxy-N-ethylethanamine
CID 65325974
2-N,2-diethyl-2-N-[(2-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 102876166
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
(2-fluoro-4-methoxyphenyl)methyl-methylazanide
CID 89077895
chloromethyl-[(2-fluoro-4-methoxyphenyl)methyl]-dimethylsilane
CID 19007208
CID 59418410
CID 59418410

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine (CID 102878820) is 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is CCN(CCCl)Cc1ccc(OC)cc1F.
What is the InChIKey of 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
The InChIKey is RNFOHMRHFPQXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFNO/c1-3-15(7-6-13)9-10-4-5-11(16-2)8-12(10)14/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine?
2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine has a molecular weight of 245.72 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 102878820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).