4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline

C17H20BrNO — CID 107571721

IUPAC4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
SMILESCOCc1ccc(CNc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-12-8-16(9-13(2)17(12)18)19-10-14-4-6-15(7-5-14)11-20-3/h4-9,19H,10-11H2,1-3H3
InChIKeyPABHBKLXQKXQHR-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.82
Rot. Bonds5

About 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline

4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline (PubChem CID 107571721) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
PubChem CID107571721
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline
SMILESCOCc1ccc(CNc2cc(C)c(Br)c(C)c2)cc1
InChIInChI=1S/C17H20BrNO/c1-12-8-16(9-13(2)17(12)18)19-10-14-4-6-15(7-5-14)11-20-3/h4-9,19H,10-11H2,1-3H3
InChIKeyPABHBKLXQKXQHR-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromophenyl)methyl]-3,5-dimethylaniline
CID 107572070
N-benzyl-4-bromo-3,5-dimethylaniline
CID 107572244
3-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]-5-methylaniline
CID 79055605
4-bromo-3,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 107571843
3-bromo-4-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 115909494
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
N-[[4-[(4-bromophenyl)methoxy]phenyl]methyl]-3,4-dimethylaniline
CID 126125185
4-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
2-bromo-4-chloro-N-[[4-(methoxymethyl)phenyl]methyl]aniline
CID 81264245
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
2,6-difluoro-N-[[4-(methoxymethyl)phenyl]methyl]-3-methylaniline
CID 82815523
6-fluoro-N-[[4-(methoxymethyl)phenyl]methyl]pyridin-3-amine
CID 103825772

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline?
The IUPAC name of 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline (CID 107571721) is 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline.
What is the SMILES notation for 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline?
The canonical SMILES for 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline is COCc1ccc(CNc2cc(C)c(Br)c(C)c2)cc1.
What is the InChIKey of 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline?
The InChIKey is PABHBKLXQKXQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-8-16(9-13(2)17(12)18)19-10-14-4-6-15(7-5-14)11-20-3/h4-9,19H,10-11H2,1-3H3.
What are the key properties of 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline?
4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline has a molecular weight of 334.26 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(methoxymethyl)phenyl]methyl]-3,5-dimethylaniline is sourced from PubChem (CID 107571721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).