N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

C18H21F2N — CID 106878270

IUPACN-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-5-21-18(15-8-6-7-11(2)17(15)20)16-12(3)9-14(19)10-13(16)4/h6-10,18,21H,5H2,1-4H3
InChIKeyXBQHHXWBCDEOPC-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.59
Rot. Bonds4

About N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine

N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (PubChem CID 106878270) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
PubChem CID106878270
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1F)c1c(C)cc(F)cc1C
InChIInChI=1S/C18H21F2N/c1-5-21-18(15-8-6-7-11(2)17(15)20)16-12(3)9-14(19)10-13(16)4/h6-10,18,21H,5H2,1-4H3
InChIKeyXBQHHXWBCDEOPC-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.59
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-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[(4-fluoro-2,6-dimethylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106878124
N-[(2-fluoro-3-methylphenyl)-(3-methylphenyl)methyl]ethanamine
CID 115790326
N-[(2,3-dimethylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 43491156
N-[(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 115811950
N-[(2,5-dimethylfuran-3-yl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81477159
N-[(4-bromo-2,5-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81482342
N-[(2-fluoro-3-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 81478017
N-[(4-fluoro-2,6-dimethylphenyl)-thiophen-2-ylmethyl]ethanamine
CID 106878086
N-[(2-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 81454708
N-[(3-bromo-2-fluorophenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 106645960

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine (CID 106878270) is N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1F)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
The InChIKey is XBQHHXWBCDEOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-5-21-18(15-8-6-7-11(2)17(15)20)16-12(3)9-14(19)10-13(16)4/h6-10,18,21H,5H2,1-4H3.
What are the key properties of N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine?
N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine has a molecular weight of 289.37 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-2,6-dimethylphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 106878270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).