N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline

C16H18BrNO2 — CID 66473576

IUPACN-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(Br)c(C)c2)cc(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-11-6-12(4-5-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3
InChIKeyMXZKXBNBOJIVIQ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.39
Rot. Bonds5

About N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline

N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline (PubChem CID 66473576) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
PubChem CID66473576
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2ccc(Br)c(C)c2)cc(OC)c1
InChIInChI=1S/C16H18BrNO2/c1-11-6-12(4-5-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3
InChIKeyMXZKXBNBOJIVIQ-UHFFFAOYSA-N
XLogP4.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethoxyaniline
CID 106816044
N-[(4-bromo-3-methylphenyl)methyl]aniline
CID 66472770
4-bromo-N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline
CID 993814
N-[(4-bromo-3-methylphenyl)methyl]naphthalen-2-amine
CID 66475011
4-[(4-bromo-3-methylanilino)methyl]-2-methoxybenzonitrile
CID 106786848
4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]-3-methylaniline
CID 63645668
N-[(4-bromo-3-methylphenyl)methyl]-4-methylsulfanylaniline
CID 66472574
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418
1-N-[(4-bromo-3-methylphenyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 66472389
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
N-[(4-bromo-3-methylphenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 66473407
3-bromo-5-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]aniline
CID 82860216

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline (CID 66473576) is N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline is COc1cc(NCc2ccc(Br)c(C)c2)cc(OC)c1.
What is the InChIKey of N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline?
The InChIKey is MXZKXBNBOJIVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-6-12(4-5-16(11)17)10-18-13-7-14(19-2)9-15(8-13)20-3/h4-9,18H,10H2,1-3H3.
What are the key properties of N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline?
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline has a molecular weight of 336.23 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 66473576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).