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

C15H15BrClNO — CID 81264245

IUPAC2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-19-10-12-4-2-11(3-5-12)9-18-15-7-6-13(17)8-14(15)16/h2-8,18H,9-10H2,1H3
InChIKeyZAMWJPUNOXNBMB-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.86
Rot. Bonds5

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

2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 81264245) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
PubChem CID81264245
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
SMILESCOCc1ccc(CNc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C15H15BrClNO/c1-19-10-12-4-2-11(3-5-12)9-18-15-7-6-13(17)8-14(15)16/h2-8,18H,9-10H2,1H3
InChIKeyZAMWJPUNOXNBMB-UHFFFAOYSA-N
XLogP4.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,3-dichloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 107787631
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
4-[(2-bromo-4-chloroanilino)methyl]benzonitrile
CID 81262865
N-[4-[(2-bromo-4-chloroanilino)methyl]phenyl]acetamide
CID 81264226
2-bromo-4-chloro-N-[[4-(difluoromethoxy)phenyl]methyl]aniline
CID 81264495
3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
2-bromo-4-chloro-N-(naphthalen-2-ylmethyl)aniline
CID 81262877
2-bromo-4-chloro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 81251895
N-[(4-chlorophenyl)methyl]-1-[4-(methoxymethyl)phenyl]methanamine
CID 60753020
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
3-bromo-N-[(3-chloro-4-fluorophenyl)methyl]-2-(methoxymethyl)aniline
CID 81145860
5-chloro-N-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-methylaniline
CID 126125917

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline (CID 81264245) is 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline is COCc1ccc(CNc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is ZAMWJPUNOXNBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-19-10-12-4-2-11(3-5-12)9-18-15-7-6-13(17)8-14(15)16/h2-8,18H,9-10H2,1H3.
What are the key properties of 2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline?
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline has a molecular weight of 340.65 g/mol, XLogP of 4.86, 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-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 81264245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).