N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline

C17H20BrNO — CID 63456998

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-19(15-8-5-13(2)6-9-15)12-14-7-10-17(20-3)16(18)11-14/h5-11H,4,12H2,1-3H3
InChIKeySLVSEVRDSAAGML-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.79
Rot. Bonds5

About N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline

N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline (PubChem CID 63456998) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
PubChem CID63456998
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1
InChIInChI=1S/C17H20BrNO/c1-4-19(15-8-5-13(2)6-9-15)12-14-7-10-17(20-3)16(18)11-14/h5-11H,4,12H2,1-3H3
InChIKeySLVSEVRDSAAGML-UHFFFAOYSA-N
XLogP4.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-methoxy-N-[(4-methylphenyl)methyl]aniline
CID 138518716
1-[(3-bromo-4-methoxyphenyl)methyl]-1-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 20845006
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
CID 60688736
2-bromo-1-methoxy-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 60672064
5-[(N-ethyl-3-methylanilino)methyl]-2-methoxyphenol
CID 82981487
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylaniline
CID 79706917
4-[(N-ethyl-3,4-dimethoxyanilino)methyl]phenol
CID 175433154
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 133423616
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
CID 60964408
N-[(3-bromo-4-methoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 162374398
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylcyclohexanamine
CID 60687002
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline (CID 63456998) is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline is CCN(Cc1ccc(OC)c(Br)c1)c1ccc(C)cc1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline?
The InChIKey is SLVSEVRDSAAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-19(15-8-5-13(2)6-9-15)12-14-7-10-17(20-3)16(18)11-14/h5-11H,4,12H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline?
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethyl-4-methylaniline is sourced from PubChem (CID 63456998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).