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

C14H13ClFN — CID 114053756

IUPAC2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCc1ccc(F)c(CNc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-13(16)11(8-10)9-17-14-5-3-2-4-12(14)15/h2-8,17H,9H2,1H3
InChIKeyKORGQPJFCCWGHA-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.40
Rot. Bonds3

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

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline (PubChem CID 114053756) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
PubChem CID114053756
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
SMILESCc1ccc(F)c(CNc2ccccc2Cl)c1
InChIInChI=1S/C14H13ClFN/c1-10-6-7-13(16)11(8-10)9-17-14-5-3-2-4-12(14)15/h2-8,17H,9H2,1H3
InChIKeyKORGQPJFCCWGHA-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053971
2-chloro-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylaniline
CID 114841500
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
N-[(2-chloro-4-methylphenyl)methyl]-2-fluoroaniline
CID 106862168
4-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 114053753
2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
N-[(2,6-dichlorophenyl)methyl]-2-fluoro-5-methylaniline
CID 28879400
2-N-[(5-chloro-2-fluorophenyl)methyl]-4-methylbenzene-1,2-diamine
CID 115126354
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-methylaniline
CID 107634827
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline (CID 114053756) is 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline is Cc1ccc(F)c(CNc2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
The InChIKey is KORGQPJFCCWGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-10-6-7-13(16)11(8-10)9-17-14-5-3-2-4-12(14)15/h2-8,17H,9H2,1H3.
What are the key properties of 2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline?
2-chloro-N-[(2-fluoro-5-methylphenyl)methyl]aniline has a molecular weight of 249.72 g/mol, XLogP of 4.40, 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]aniline is sourced from PubChem (CID 114053756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).