N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline

C15H15ClFN — CID 28555155

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-6-14(7-11(10)2)18-9-12-4-5-13(17)8-15(12)16/h3-8,18H,9H2,1-2H3
InChIKeyDFLNOEVTGZWQGI-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline

N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline (PubChem CID 28555155) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
PubChem CID28555155
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline
SMILESCc1ccc(NCc2ccc(F)cc2Cl)cc1C
InChIInChI=1S/C15H15ClFN/c1-10-3-6-14(7-11(10)2)18-9-12-4-5-13(17)8-15(12)16/h3-8,18H,9H2,1-2H3
InChIKeyDFLNOEVTGZWQGI-UHFFFAOYSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylaniline
CID 107573481
N-[[2-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxyphenyl]methyl]-3,4-dimethylaniline
CID 66540484
4-chloro-N-[(2-chloro-4-fluorophenyl)methyl]aniline
CID 30051350
N-[(2-chloro-4-fluorophenyl)methyl]-3-fluoro-5-methylaniline
CID 79054679
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66543083
4-bromo-N-[(2-chloro-4-fluorophenyl)methyl]-3-methoxyaniline
CID 82868186
3,5-dichloro-N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoroaniline
CID 107573826
N-[(2-chloro-4-fluorophenyl)methyl]-4-propan-2-yloxyaniline
CID 28969852
3-chloro-N-[(2-chloro-4-fluorophenyl)methyl]-5-fluoroaniline
CID 107364885
N-[[6-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66544149
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
2-chloro-5-[(5-fluoro-2-methylphenyl)methylamino]benzamide
CID 102670907

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline (CID 28555155) is N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline is Cc1ccc(NCc2ccc(F)cc2Cl)cc1C.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
The InChIKey is DFLNOEVTGZWQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-3-6-14(7-11(10)2)18-9-12-4-5-13(17)8-15(12)16/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline?
N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline has a molecular weight of 263.74 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 28555155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).