N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline

C16H18ClFN2 — CID 115743043

IUPACN-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H18ClFN2/c1-20(2)11-12-6-8-14(9-7-12)19-10-13-4-3-5-15(17)16(13)18/h3-9,19H,10-11H2,1-2H3
InChIKeyDFHDZILAHNWEDD-UHFFFAOYSA-N
MW292.79 g/mol
LogP4.15
Rot. Bonds5

About N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline

N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline (PubChem CID 115743043) has the molecular formula C16H18ClFN2 and a molecular weight of 292.79 g/mol. Its IUPAC name is N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline.

Molecular Properties

Compound NameN-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
PubChem CID115743043
Molecular FormulaC16H18ClFN2
Molecular Weight292.79 g/mol
Exact Mass292.11
IUPAC NameN-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline
SMILESCN(C)Cc1ccc(NCc2cccc(Cl)c2F)cc1
InChIInChI=1S/C16H18ClFN2/c1-20(2)11-12-6-8-14(9-7-12)19-10-13-4-3-5-15(17)16(13)18/h3-9,19H,10-11H2,1-2H3
InChIKeyDFHDZILAHNWEDD-UHFFFAOYSA-N
XLogP4.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(dimethylamino)methyl]-N-[(2-ethylphenyl)methyl]aniline
CID 62392123
4-butan-2-yl-N-[(3-chloro-2-fluorophenyl)methyl]aniline
CID 114487318
N-[(2-bromophenyl)methyl]-4-[(dimethylamino)methyl]aniline
CID 43747278
N-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115695866
5-N-[(3-chloro-2-fluorophenyl)methyl]-2-N,2-N-diethylpyridine-2,5-diamine
CID 114487359
N-[(3-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115695848
N-[(3-chloro-2-fluorophenyl)methyl]-4-pyrazol-1-ylaniline
CID 115743032
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683
2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
CID 115658600
N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 114487520
N-[(3-chloro-2-fluorophenyl)methyl]prop-2-yn-1-amine
CID 115695732
N-[(3-chloro-2-fluorophenyl)methyl]-4-(1,2,4-triazol-1-yl)aniline
CID 115743587

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The IUPAC name of N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline (CID 115743043) is N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline.
What is the SMILES notation for N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The canonical SMILES for N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline is CN(C)Cc1ccc(NCc2cccc(Cl)c2F)cc1.
What is the InChIKey of N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
The InChIKey is DFHDZILAHNWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2/c1-20(2)11-12-6-8-14(9-7-12)19-10-13-4-3-5-15(17)16(13)18/h3-9,19H,10-11H2,1-2H3.
What are the key properties of N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline?
N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline has a molecular weight of 292.79 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-fluorophenyl)methyl]-4-[(dimethylamino)methyl]aniline is sourced from PubChem (CID 115743043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).