N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine

C17H19ClFN — CID 107994577

IUPACN-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyDEBGUFDCFYAASG-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.74
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine

N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine (PubChem CID 107994577) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
PubChem CID107994577
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(CC)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C17H19ClFN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3
InChIKeyDEBGUFDCFYAASG-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,6-dichlorophenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018508
N-[(4-chloro-3-fluorophenyl)-(3,5-difluorophenyl)methyl]ethanamine
CID 107992930
N-[(4-ethoxyphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 105018505
N-[(4-chloro-3-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107993159
N-[(4-chlorophenyl)-(3,4-difluorophenyl)methyl]ethanamine
CID 43488972
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-chloro-2-methylphenyl)-(3-ethylphenyl)methyl]ethanamine
CID 107102860
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3,4-dichlorophenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43491461
1-(4-chloro-2,5-difluorophenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018615
[(4-chlorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105193218
N-[(4-chloro-3-methylphenyl)-(3-fluorophenyl)methyl]ethanamine
CID 115792045

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine (CID 107994577) is N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine is CCNC(c1cccc(CC)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine?
The InChIKey is DEBGUFDCFYAASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-3-12-6-5-7-13(10-12)17(20-4-2)14-8-9-15(18)16(19)11-14/h5-11,17,20H,3-4H2,1-2H3.
What are the key properties of N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine?
N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)-(3-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 107994577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).