N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine

C18H21F2N — CID 106882253

IUPACN-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)C)ccc2F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-5-6-16(19)15(9-14)18-13(4)7-12(3)8-17(18)20/h5-9,11,21H,10H2,1-4H3
InChIKeyPDRQQBZGJHJDSQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.75
Rot. Bonds4

About N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine

N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 106882253) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
PubChem CID106882253
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC NameN-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2cc(CNC(C)C)ccc2F)c(F)c1
InChIInChI=1S/C18H21F2N/c1-11(2)21-10-14-5-6-16(19)15(9-14)18-13(4)7-12(3)8-17(18)20/h5-9,11,21H,10H2,1-4H3
InChIKeyPDRQQBZGJHJDSQ-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882235
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[4-fluoro-3-(2,4,6-trimethylphenyl)phenyl]methyl]propan-1-amine
CID 63425094
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 106882311
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[3-(2,4-difluoro-5-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105410097
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
N-[[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]methyl]ethanamine
CID 106882243

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine (CID 106882253) is N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(C)c(-c2cc(CNC(C)C)ccc2F)c(F)c1.
What is the InChIKey of N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is PDRQQBZGJHJDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-11(2)21-10-14-5-6-16(19)15(9-14)18-13(4)7-12(3)8-17(18)20/h5-9,11,21H,10H2,1-4H3.
What are the key properties of N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 289.37 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106882253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).