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

C18H22FN — CID 106882235

IUPACN-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2ccccc2CNC(C)C)c(F)c1
InChIInChI=1S/C18H22FN/c1-12(2)20-11-15-7-5-6-8-16(15)18-14(4)9-13(3)10-17(18)19/h5-10,12,20H,11H2,1-4H3
InChIKeyVCTXTURDVPVSRP-UHFFFAOYSA-N
MW271.38 g/mol
LogP4.61
Rot. Bonds4

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

N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 106882235) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
PubChem CID106882235
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC NameN-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCc1cc(C)c(-c2ccccc2CNC(C)C)c(F)c1
InChIInChI=1S/C18H22FN/c1-12(2)20-11-15-7-5-6-8-16(15)18-14(4)9-13(3)10-17(18)19/h5-10,12,20H,11H2,1-4H3
InChIKeyVCTXTURDVPVSRP-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[4-fluoro-3-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106882253
N-[[2-(2,4,6-trimethylphenyl)phenyl]methyl]ethanamine
CID 54910365
N-[(2-naphthalen-2-ylphenyl)methyl]propan-2-amine
CID 63424194
N-[[2-(3-bromo-2-fluorophenyl)phenyl]methyl]propan-2-amine
CID 106646431
N-[[2-(2-chlorophenyl)phenyl]methyl]propan-2-amine
CID 54910961
N-[[2-fluoro-5-(4-fluoro-2,6-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 106879353
N-[[3-(2-fluorophenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408608
3-fluoro-5-[2-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 66423885
1-[4-(2-fluoro-4,6-dimethylphenyl)-3-methylphenyl]-N-methylmethanamine
CID 106882311
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
N-[[4-chloro-2-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502483
N-[(2-bromophenyl)methyl]propan-2-amine
CID 11988160

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine (CID 106882235) is N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine is Cc1cc(C)c(-c2ccccc2CNC(C)C)c(F)c1.
What is the InChIKey of N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is VCTXTURDVPVSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN/c1-12(2)20-11-15-7-5-6-8-16(15)18-14(4)9-13(3)10-17(18)19/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine?
N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 271.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluoro-4,6-dimethylphenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 106882235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).