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

C11H15ClFN — CID 63387186

IUPAC2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN(CCCl)Cc1ccc(F)cc1
InChIInChI=1S/C11H15ClFN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyZHJCKJQOEHXACI-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.89
Rot. Bonds5

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

2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine (PubChem CID 63387186) has the molecular formula C11H15ClFN and a molecular weight of 215.70 g/mol. Its IUPAC name is 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
PubChem CID63387186
Molecular FormulaC11H15ClFN
Molecular Weight215.70 g/mol
Exact Mass215.09
IUPAC Name2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine
SMILESCCN(CCCl)Cc1ccc(F)cc1
InChIInChI=1S/C11H15ClFN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3
InChIKeyZHJCKJQOEHXACI-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 63389177
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N-butyl-N-[(4-fluorophenyl)methyl]butan-1-amine
CID 6422133
4-[[ethyl-[(4-fluorophenyl)methyl]amino]methyl]aniline
CID 43458819
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]propan-1-amine
CID 63386534
N-(2-chloroethyl)-N-[(4-methylphenyl)methyl]butan-1-amine
CID 63389176
ethane;1-(4-fluorophenyl)-N,N-dimethylmethanamine
CID 163403663
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
CID 78791314
2-chloro-N-(2-chloroethyl)-N-[(4-iodophenyl)methyl]ethanamine;hydrochloride
CID 138398765
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylethanamine
CID 63387036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine (CID 63387186) is 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine is CCN(CCCl)Cc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine?
The InChIKey is ZHJCKJQOEHXACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN/c1-2-14(8-7-12)9-10-3-5-11(13)6-4-10/h3-6H,2,7-9H2,1H3.
What are the key properties of 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine?
2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine has a molecular weight of 215.70 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-N-[(4-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63387186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).