N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

C17H19ClFN — CID 105397113

IUPACN-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1cccc(C)c1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-10-13(19)8-9-16(15)18/h5-10,17,20H,4H2,1-3H3
InChIKeyZKZADFDUSHMRKX-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.79
Rot. Bonds4

About N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 105397113) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID105397113
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)ccc1Cl)c1cccc(C)c1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-10-13(19)8-9-16(15)18/h5-10,17,20H,4H2,1-3H3
InChIKeyZKZADFDUSHMRKX-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-5-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]ethanamine
CID 107103191
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(2,4-difluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43491064
N-[(2-chloro-5-fluorophenyl)-(2-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 105397260
N-[(2-chloro-5-fluorophenyl)-(2-ethylphenyl)methyl]ethanamine
CID 105396813
N-[(2-chloro-5-fluorophenyl)-(2-iodophenyl)methyl]ethanamine
CID 105397345
1-(2-chloro-4-fluorophenyl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 62946377
1-(2-chloro-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylmethanamine
CID 105397270
N-[(2-chloro-4,5-dimethylphenyl)-(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 115484037
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 105397113) is N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1cc(F)ccc1Cl)c1cccc(C)c1C.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is ZKZADFDUSHMRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-11(2)12(14)3)15-10-13(19)8-9-16(15)18/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 291.80 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105397113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).