N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline

C15H15ClFN — CID 114075525

IUPACN-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
SMILESCc1cc(Cl)ccc1CNc1c(C)cccc1F
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-14(17)15(10)18-9-12-6-7-13(16)8-11(12)2/h3-8,18H,9H2,1-2H3
InChIKeyCLABNKLPNHPFDS-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.71
Rot. Bonds3

About N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline

N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline (PubChem CID 114075525) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
PubChem CID114075525
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline
SMILESCc1cc(Cl)ccc1CNc1c(C)cccc1F
InChIInChI=1S/C15H15ClFN/c1-10-4-3-5-14(17)15(10)18-9-12-6-7-13(16)8-11(12)2/h3-8,18H,9H2,1-2H3
InChIKeyCLABNKLPNHPFDS-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-[(4-fluoro-2-methylphenyl)methyl]-6-methylaniline
CID 66251464
2,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43773134
N-[(4-chloro-2-methylphenyl)methyl]-6-fluoropyridin-2-amine
CID 102808091
4-[(2-chloro-6-fluoroanilino)methyl]-3-methylbenzonitrile
CID 114480866
2-N-[(2,4-dimethylphenyl)methyl]-3-fluorobenzene-1,2-diamine
CID 115125736
4-fluoro-3-[(2-fluoro-6-methylanilino)methyl]benzoic acid
CID 107453378
N-[(5-chloro-2-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 114842579
1-(4-chloro-2-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 104853852
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
N-[(4-chloro-2-methylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 114075363
N-[(2,5-dimethylphenyl)methyl]-2,6-difluoroaniline
CID 60687426
5-chloro-N-[(2,3-dimethylphenyl)methyl]-2-fluoroaniline
CID 55198647

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline (CID 114075525) is N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline is Cc1cc(Cl)ccc1CNc1c(C)cccc1F.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline?
The InChIKey is CLABNKLPNHPFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-10-4-3-5-14(17)15(10)18-9-12-6-7-13(16)8-11(12)2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline?
N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-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 N-[(4-chloro-2-methylphenyl)methyl]-2-fluoro-6-methylaniline is sourced from PubChem (CID 114075525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).