4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline

C15H14ClF2NO — CID 105402906

IUPAC4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9-3-14(15(20-2)7-13(9)16)19-8-10-4-11(17)6-12(18)5-10/h3-7,19H,8H2,1-2H3
InChIKeyFAOMUOPMACLAQK-UHFFFAOYSA-N
MW297.73 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline

4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 105402906) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID105402906
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1cc(Cl)c(C)cc1NCc1cc(F)cc(F)c1
InChIInChI=1S/C15H14ClF2NO/c1-9-3-14(15(20-2)7-13(9)16)19-8-10-4-11(17)6-12(18)5-10/h3-7,19H,8H2,1-2H3
InChIKeyFAOMUOPMACLAQK-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419097
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
4-chloro-2-methoxy-5-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408910
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
2,6-dibromo-4-[(4-chloro-2-methoxy-5-methylanilino)methyl]phenol
CID 107740442
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
2-[(4-chloro-2-methoxy-5-methylanilino)methyl]-4-fluorobenzonitrile
CID 103760975
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
4-chloro-2-methoxy-5-methyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398156
3-[(4-chloro-2-methoxy-5-methylanilino)methyl]benzamide
CID 28529683
4-chloro-2-methoxy-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741991
4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline (CID 105402906) is 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline is COc1cc(Cl)c(C)cc1NCc1cc(F)cc(F)c1.
What is the InChIKey of 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is FAOMUOPMACLAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-9-3-14(15(20-2)7-13(9)16)19-8-10-4-11(17)6-12(18)5-10/h3-7,19H,8H2,1-2H3.
What are the key properties of 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline?
4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline has a molecular weight of 297.73 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 105402906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).