2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline

C15H15ClFN — CID 114251741

IUPAC2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
SMILESCc1cc(CNc2cccc(C)c2Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-14(15(10)16)18-9-12-6-7-13(17)11(2)8-12/h3-8,18H,9H2,1-2H3
InChIKeyCBYPGXPPQHPQAB-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline

2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline (PubChem CID 114251741) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
PubChem CID114251741
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
SMILESCc1cc(CNc2cccc(C)c2Cl)ccc1F
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-14(15(10)16)18-9-12-6-7-13(17)11(2)8-12/h3-8,18H,9H2,1-2H3
InChIKeyCBYPGXPPQHPQAB-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

3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747
4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-(trifluoromethyl)aniline
CID 63417776
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
N-[(2-bromo-4-fluorophenyl)methyl]-2-chloro-3-methylaniline
CID 114251751

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline?
The IUPAC name of 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline (CID 114251741) is 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline.
What is the SMILES notation for 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline?
The canonical SMILES for 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline is Cc1cc(CNc2cccc(C)c2Cl)ccc1F.
What is the InChIKey of 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline?
The InChIKey is CBYPGXPPQHPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-4-3-5-14(15(10)16)18-9-12-6-7-13(17)11(2)8-12/h3-8,18H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline?
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-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-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline is sourced from PubChem (CID 114251741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).