4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline

C15H15F2NO2 — CID 28623734

IUPAC4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H15F2NO2/c1-19-14-4-2-3-11(9-14)10-18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyBHOCHMSOPIJTGX-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.91
Rot. Bonds6

About 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline

4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline (PubChem CID 28623734) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
PubChem CID28623734
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline
SMILESCOc1cccc(CNc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C15H15F2NO2/c1-19-14-4-2-3-11(9-14)10-18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15,18H,10H2,1H3
InChIKeyBHOCHMSOPIJTGX-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(difluoromethoxy)anilino]methyl]phenol
CID 28623903
N-[(3-methoxyphenyl)methyl]-4-methylaniline
CID 23255337
4-chloro-N-[(3-methoxyphenyl)methyl]aniline
CID 4681221
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029
4-(2-methoxyethoxy)-N-[(3-methoxyphenyl)methyl]aniline
CID 43734134
N-[[3-(difluoromethoxy)phenyl]methyl]-4-(difluoromethylsulfonyl)aniline
CID 133278049
N-[[3-(difluoromethoxy)phenyl]methyl]-4-nitroaniline
CID 133278069
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]aniline
CID 43747201
N-[[3-(difluoromethoxy)phenyl]methyl]hydroxylamine
CID 117281301
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
4-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]aniline
CID 54796749

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline (CID 28623734) is 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline is COc1cccc(CNc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
The InChIKey is BHOCHMSOPIJTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-19-14-4-2-3-11(9-14)10-18-12-5-7-13(8-6-12)20-15(16)17/h2-9,15,18H,10H2,1H3.
What are the key properties of 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline?
4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline has a molecular weight of 279.29 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[(3-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 28623734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).