1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine

C16H17ClFN — CID 115504411

IUPAC1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFN/c1-3-19-11(2)12-5-4-6-13(9-12)14-7-8-16(18)15(17)10-14/h4-11,19H,3H2,1-2H3
InChIKeyNNILWVLCMOIVGC-UHFFFAOYSA-N
MW277.77 g/mol
LogP4.82
Rot. Bonds4

About 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine

1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine (PubChem CID 115504411) has the molecular formula C16H17ClFN and a molecular weight of 277.77 g/mol. Its IUPAC name is 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
PubChem CID115504411
Molecular FormulaC16H17ClFN
Molecular Weight277.77 g/mol
Exact Mass277.10
IUPAC Name1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine
SMILESCCNC(C)c1cccc(-c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H17ClFN/c1-3-19-11(2)12-5-4-6-13(9-12)14-7-8-16(18)15(17)10-14/h4-11,19H,3H2,1-2H3
InChIKeyNNILWVLCMOIVGC-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-(3,4-dichlorophenyl)phenyl]ethyl]propan-1-amine
CID 63424974
N-ethyl-1-[3-(2-fluoro-5-methylphenyl)phenyl]ethanamine
CID 54911693
1-[3-(3-bromophenyl)phenyl]-N-ethylethanamine
CID 113324686
1-[4-(2-chloro-4,5-difluorophenyl)phenyl]-N-ethylethanamine
CID 107476887
N-[1-[3-(4-fluoro-3-methylphenyl)phenyl]ethyl]propan-1-amine
CID 63424482
1-[3-(5-chloro-2-methoxyphenyl)phenyl]-N-ethylethanamine
CID 61033591
N-ethyl-1-(3-thiophen-3-ylphenyl)ethanamine
CID 65099364
1-(3-chloro-4-fluorophenyl)-N-(2-ethoxyethyl)ethanamine
CID 43590710
N-[1-[3-(3-chloro-5-fluorophenyl)phenyl]ethyl]propan-1-amine
CID 115504675
N-benzyl-1-(3-chloro-4-fluorophenyl)ethanamine
CID 43200174
1-(2-chloro-4-phenylphenyl)-N-ethylethanamine
CID 82782215
1-[3-(3,4-difluorophenoxy)phenyl]-N-ethylethanamine
CID 79167388

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The IUPAC name of 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine (CID 115504411) is 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The canonical SMILES for 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine is CCNC(C)c1cccc(-c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
The InChIKey is NNILWVLCMOIVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN/c1-3-19-11(2)12-5-4-6-13(9-12)14-7-8-16(18)15(17)10-14/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine?
1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine has a molecular weight of 277.77 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chloro-4-fluorophenyl)phenyl]-N-ethylethanamine is sourced from PubChem (CID 115504411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).