2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline

C14H11BrClF2NO — CID 81264495

IUPAC2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H11BrClF2NO/c15-12-7-10(16)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(17)18/h1-7,14,19H,8H2
InChIKeyJLYIDUGIXBKVJI-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.32
Rot. Bonds5

About 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline

2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline (PubChem CID 81264495) has the molecular formula C14H11BrClF2NO and a molecular weight of 362.60 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
PubChem CID81264495
Molecular FormulaC14H11BrClF2NO
Molecular Weight362.60 g/mol
Exact Mass360.97
IUPAC Name2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
SMILESFC(F)Oc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H11BrClF2NO/c15-12-7-10(16)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(17)18/h1-7,14,19H,8H2
InChIKeyJLYIDUGIXBKVJI-UHFFFAOYSA-N
XLogP5.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245
2-bromo-5-chloro-N-[(4-propan-2-yloxyphenyl)methyl]aniline
CID 81264088
2-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]-4-iodoaniline
CID 43733617
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
N-[(3-bromo-4-chlorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 83235363
[4-chloro-3-[[4-(difluoromethoxy)phenyl]methylamino]phenyl]methanol
CID 111466189
2-bromo-4-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 81251895
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
1-[4-(difluoromethoxy)phenyl]-N-[(3,4-difluorophenyl)methyl]methanamine
CID 28678045
N-[(3-chloro-5-fluorophenyl)methyl]-1-[4-(difluoromethoxy)phenyl]methanamine
CID 114452225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline (CID 81264495) is 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline is FC(F)Oc1ccc(CNc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline?
The InChIKey is JLYIDUGIXBKVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2NO/c15-12-7-10(16)3-6-13(12)19-8-9-1-4-11(5-2-9)20-14(17)18/h1-7,14,19H,8H2.
What are the key properties of 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline?
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline has a molecular weight of 362.60 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 81264495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).