N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

C15H22BrNO2 — CID 112796332

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-6-17(9-11(2)3)10-12-7-14(18-4)15(19-5)8-13(12)16/h7-8H,2,6,9-10H2,1,3-5H3
InChIKeyMKWYWMSQGPJPNP-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.86
Rot. Bonds7

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (PubChem CID 112796332) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
PubChem CID112796332
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
SMILESC=C(C)CN(CC)Cc1cc(OC)c(OC)cc1Br
InChIInChI=1S/C15H22BrNO2/c1-6-17(9-11(2)3)10-12-7-14(18-4)15(19-5)8-13(12)16/h7-8H,2,6,9-10H2,1,3-5H3
InChIKeyMKWYWMSQGPJPNP-UHFFFAOYSA-N
XLogP3.86
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4,5-dimethoxyphenyl)-N,N-dimethylmethanamine
CID 13212596
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331
N-[[6-(2,6-diethylphenyl)-4-methoxy-2-methyl-3-pyridinyl]methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 66993616
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103720726
(2R)-1-[4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-2-methoxyphenoxy]-3-(4-ethylpiperazin-1-yl)propan-2-ol
CID 30673704
(2-bromo-5-ethoxy-4-methoxyphenyl)methanol
CID 893488
N-[(2-bromo-5-ethoxy-4-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538298
4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-N,N-dimethylaniline
CID 3817840
1-bromo-4,5-dimethoxy-2-(2-methylpropyl)benzene
CID 138723532
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylpiperazine
CID 782375
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1,3,3-tetramethylguanidine
CID 75467083
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538759

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine (CID 112796332) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is C=C(C)CN(CC)Cc1cc(OC)c(OC)cc1Br.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
The InChIKey is MKWYWMSQGPJPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-6-17(9-11(2)3)10-12-7-14(18-4)15(19-5)8-13(12)16/h7-8H,2,6,9-10H2,1,3-5H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine is sourced from PubChem (CID 112796332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).