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

C15H15ClFNO — CID 106816718

IUPACN-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-3-4-11(7-13(10)16)9-18-14-6-5-12(17)8-15(14)19-2/h3-8,18H,9H2,1-2H3
InChIKeyBWOAJXZGGNTSMV-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

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

N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline (PubChem CID 106816718) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
PubChem CID106816718
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
SMILESCOc1cc(F)ccc1NCc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-10-3-4-11(7-13(10)16)9-18-14-6-5-12(17)8-15(14)19-2/h3-8,18H,9H2,1-2H3
InChIKeyBWOAJXZGGNTSMV-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
N-[(4-cyclopropylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 79978801
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
N-[(3,4-dichlorophenyl)methyl]-2,4-dimethoxyaniline
CID 28537972
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 105402906
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-4,5-dimethoxyaniline
CID 103944246
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-4-methylaniline
CID 55040204
N-[(4-fluoro-3-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 62122449

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline (CID 106816718) is N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline is COc1cc(F)ccc1NCc1ccc(C)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline?
The InChIKey is BWOAJXZGGNTSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-4-11(7-13(10)16)9-18-14-6-5-12(17)8-15(14)19-2/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline?
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline has a molecular weight of 279.74 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline is sourced from PubChem (CID 106816718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).