N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline

C17H20BrNO — CID 63458833

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
SMILESCOc1ccc(Br)cc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-12-5-7-16(13(2)9-12)19(3)11-14-10-15(18)6-8-17(14)20-4/h5-10H,11H2,1-4H3
InChIKeyVLJLIHPGFCIKTN-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.71
Rot. Bonds4

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline (PubChem CID 63458833) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
PubChem CID63458833
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline
SMILESCOc1ccc(Br)cc1CN(C)c1ccc(C)cc1C
InChIInChI=1S/C17H20BrNO/c1-12-5-7-16(13(2)9-12)19(3)11-14-10-15(18)6-8-17(14)20-4/h5-10H,11H2,1-4H3
InChIKeyVLJLIHPGFCIKTN-UHFFFAOYSA-N
XLogP4.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxyphenyl)-1-(2,4-dimethylphenyl)ethanone
CID 114964594
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 2657702
4-bromo-N-[(4-methoxyphenyl)methyl]-N,2-dimethylaniline
CID 22042659
2-methoxy-5-[(N,2,4-trimethylanilino)methyl]benzonitrile
CID 65343788
2-N-[(5-bromo-2-methoxyphenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 115147985
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4,5-trimethylthiophene-2-carboxamide
CID 31152479
2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylacetamide
CID 60938044
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,2-trimethylpropanamide
CID 60628271
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-4-methylbenzene
CID 63535753
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
2,6-dibromo-4-[(N,2,4-trimethylanilino)methyl]phenol
CID 107740282

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline (CID 63458833) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline is COc1ccc(Br)cc1CN(C)c1ccc(C)cc1C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline?
The InChIKey is VLJLIHPGFCIKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-12-5-7-16(13(2)9-12)19(3)11-14-10-15(18)6-8-17(14)20-4/h5-10H,11H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline has a molecular weight of 334.26 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2,4-trimethylaniline is sourced from PubChem (CID 63458833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).