2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine

C16H17ClFN — CID 114855283

IUPAC2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-2-19-16(12-6-4-3-5-7-12)10-13-8-9-14(17)11-15(13)18/h3-9,11,16,19H,2,10H2,1H3
InChIKeyBNMCGHQFIIOBQW-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine

2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine (PubChem CID 114855283) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
PubChem CID114855283
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1F)c1ccccc1
InChIInChI=1S/C16H17ClFN/c1-2-19-16(12-6-4-3-5-7-12)10-13-8-9-14(17)11-15(13)18/h3-9,11,16,19H,2,10H2,1H3
InChIKeyBNMCGHQFIIOBQW-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)-N-ethylethanamine
CID 105055557
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 114855165
2-(4-chloro-2-fluorophenyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105055242
1,2-bis(4-chloro-2-fluorophenyl)-N-ethylethanamine
CID 114855618
[2-(4-chloro-2-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199286
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
2-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methylphenyl)-N-ethylethanamine
CID 105055513
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 114855242
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
2-(4-chloro-2-fluorophenyl)-1-(2,4-difluorophenyl)-N-ethylethanamine
CID 114855582
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 114857001
N-[2-(4-chloro-2-fluorophenyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 114855297

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine (CID 114855283) is 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine is CCNC(Cc1ccc(Cl)cc1F)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine?
The InChIKey is BNMCGHQFIIOBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-2-19-16(12-6-4-3-5-7-12)10-13-8-9-14(17)11-15(13)18/h3-9,11,16,19H,2,10H2,1H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine?
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 114855283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).