2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline

C15H15ClFN — CID 114053971

IUPAC2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(CNc2cc(C)ccc2Cl)c1
InChIInChI=1S/C15H15ClFN/c1-10-4-6-14(17)12(7-10)9-18-15-8-11(2)3-5-13(15)16/h3-8,18H,9H2,1-2H3
InChIKeyNVRPOHLURCMAJJ-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (PubChem CID 114053971) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
PubChem CID114053971
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
SMILESCc1ccc(F)c(CNc2cc(C)ccc2Cl)c1
InChIInChI=1S/C15H15ClFN/c1-10-4-6-14(17)12(7-10)9-18-15-8-11(2)3-5-13(15)16/h3-8,18H,9H2,1-2H3
InChIKeyNVRPOHLURCMAJJ-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

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053756
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
2-chloro-N-[(2,4-difluoro-5-nitrophenyl)methyl]-5-methylaniline
CID 107630959
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
3-bromo-4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053891
4-[(2-chloro-5-methylanilino)methyl]-3-fluorobenzonitrile
CID 103768039
2-chloro-N-[(2,4-dimethylphenyl)methyl]-5-fluoroaniline
CID 107527051
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The IUPAC name of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline (CID 114053971) is 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline.
What is the SMILES notation for 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The canonical SMILES for 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is Cc1ccc(F)c(CNc2cc(C)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
The InChIKey is NVRPOHLURCMAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-4-6-14(17)12(7-10)9-18-15-8-11(2)3-5-13(15)16/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline?
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline 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 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline is sourced from PubChem (CID 114053971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).