N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline

C15H15ClFNO — CID 114841617

IUPACN-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-19-10-12-4-2-3-5-15(12)18-9-11-6-7-13(16)8-14(11)17/h2-8,18H,9-10H2,1H3
InChIKeyNNWAEKZOXFAHJD-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.24
Rot. Bonds5

About N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline

N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline (PubChem CID 114841617) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
PubChem CID114841617
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NCc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO/c1-19-10-12-4-2-3-5-15(12)18-9-11-6-7-13(16)8-14(11)17/h2-8,18H,9-10H2,1H3
InChIKeyNNWAEKZOXFAHJD-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
N-[(2,6-dichlorophenyl)methyl]-2-(methoxymethyl)aniline
CID 43677929
N-[(4-fluoro-3-methylphenyl)methyl]-2-(methoxymethyl)aniline
CID 62121796
N-[(4-chloro-2-fluorophenyl)methyl]-2-ethylsulfanylaniline
CID 114842098
2-chloro-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 112553795
2-(methoxymethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 78885346
N-benzyl-2-(methoxymethyl)aniline
CID 43677932
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
CID 43750369
5-chloro-2-fluoro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 102876267
1-(4-chloro-2-fluorophenyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]methanamine
CID 114841440
2-(methoxymethyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473668

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline (CID 114841617) is N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline is COCc1ccccc1NCc1ccc(Cl)cc1F.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline?
The InChIKey is NNWAEKZOXFAHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-19-10-12-4-2-3-5-15(12)18-9-11-6-7-13(16)8-14(11)17/h2-8,18H,9-10H2,1H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline?
N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline has a molecular weight of 279.74 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)methyl]-2-(methoxymethyl)aniline is sourced from PubChem (CID 114841617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).