N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline

C15H15ClFNO — CID 29034748

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-3-6-15(19-2)14(7-10)18-9-11-4-5-12(17)8-13(11)16/h3-8,18H,9H2,1-2H3
InChIKeyUTXCXIWILTVRSO-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.41
Rot. Bonds4

About N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline

N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline (PubChem CID 29034748) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
PubChem CID29034748
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline
SMILESCOc1ccc(C)cc1NCc1ccc(F)cc1Cl
InChIInChI=1S/C15H15ClFNO/c1-10-3-6-15(19-2)14(7-10)18-9-11-4-5-12(17)8-13(11)16/h3-8,18H,9H2,1-2H3
InChIKeyUTXCXIWILTVRSO-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

Analyze N-[(2-chloro-4-fluorophenyl)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

N-[(2-chlorophenyl)methyl]-5-fluoro-2-methoxyaniline
CID 82539005
N-[(2-fluoro-5-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 103818113
N-[(5-fluoro-2-nitrophenyl)methyl]-2-methoxy-5-methylaniline
CID 43443545
N-[(2-chloro-5-fluorophenyl)methyl]-2,5-dimethoxyaniline
CID 102615378
4-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methoxy-5-methylaniline
CID 63419053
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
1-[(2-chloro-4-fluorophenyl)methyl]-3-(5-chloro-2-methoxyphenyl)thiourea
CID 3687163

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline (CID 29034748) is N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline is COc1ccc(C)cc1NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline?
The InChIKey is UTXCXIWILTVRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-10-3-6-15(19-2)14(7-10)18-9-11-4-5-12(17)8-13(11)16/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline?
N-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline 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-[(2-chloro-4-fluorophenyl)methyl]-2-methoxy-5-methylaniline is sourced from PubChem (CID 29034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).