N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine

C17H19ClFN — CID 106878377

IUPACN-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-8-15(14)18)16-11(2)9-13(19)10-12(16)3/h5-10,17,20H,4H2,1-3H3
InChIKeyANEGXXCHYJOTNP-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.79
Rot. Bonds4

About N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine

N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine (PubChem CID 106878377) has the molecular formula C17H19ClFN and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
PubChem CID106878377
Molecular FormulaC17H19ClFN
Molecular Weight291.80 g/mol
Exact Mass291.12
IUPAC NameN-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-8-15(14)18)16-11(2)9-13(19)10-12(16)3/h5-10,17,20H,4H2,1-3H3
InChIKeyANEGXXCHYJOTNP-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-[(3-chloro-2-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878168
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 106878270
N-[(5-bromo-2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878329
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
N-[(2-chloro-4-fluoro-5-methylphenyl)-(2-chlorophenyl)methyl]ethanamine
CID 81045063
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989854
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(2-chlorophenyl)-(5-fluoro-1-benzothiophen-2-yl)methyl]ethanamine
CID 105099912
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine (CID 106878377) is N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine is CCNC(c1ccccc1Cl)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine?
The InChIKey is ANEGXXCHYJOTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN/c1-4-20-17(14-7-5-6-8-15(14)18)16-11(2)9-13(19)10-12(16)3/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(4-fluoro-2,6-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-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 106878377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).