N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline

C17H20BrNO2 — CID 66543424

IUPACN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1c(OC)ccc(Br)c1CNc1ccc(C)cc1
InChIInChI=1S/C17H20BrNO2/c1-4-21-17-14(15(18)9-10-16(17)20-3)11-19-13-7-5-12(2)6-8-13/h5-10,19H,4,11H2,1-3H3
InChIKeyFDENEYGOTAXMRX-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.78
Rot. Bonds6

About N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline

N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline (PubChem CID 66543424) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
PubChem CID66543424
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC NameN-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
SMILESCCOc1c(OC)ccc(Br)c1CNc1ccc(C)cc1
InChIInChI=1S/C17H20BrNO2/c1-4-21-17-14(15(18)9-10-16(17)20-3)11-19-13-7-5-12(2)6-8-13/h5-10,19H,4,11H2,1-3H3
InChIKeyFDENEYGOTAXMRX-UHFFFAOYSA-N
XLogP4.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-morpholin-4-ylaniline
CID 66543514
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-4-chloroaniline
CID 66543149
2-[3-bromo-2-[(3,5-dichloro-4-hydroxyanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543478
2-[3-bromo-2-[(3-chloro-4-methylanilino)methyl]-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543803
5-[[6-bromo-3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-2-chlorobenzoic acid
CID 66543949
2-[2-[(6-bromo-2-ethoxy-3-methoxyphenyl)methylamino]ethylamino]ethanol
CID 66538981
N-[[6-bromo-2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methoxyaniline
CID 66543394
N-[(6-bromo-2,3-dimethoxyphenyl)methyl]-3-chloro-4-methoxyaniline
CID 66543602
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 66538979
2-[2-[(1,3-benzodioxol-5-ylamino)methyl]-3-bromo-6-methoxyphenoxy]-N-(4-methylphenyl)acetamide
CID 66543477
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
CID 66537350
N-[4-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66544074

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline?
The IUPAC name of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline (CID 66543424) is N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline?
The canonical SMILES for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline is CCOc1c(OC)ccc(Br)c1CNc1ccc(C)cc1.
What is the InChIKey of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline?
The InChIKey is FDENEYGOTAXMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c1-4-21-17-14(15(18)9-10-16(17)20-3)11-19-13-7-5-12(2)6-8-13/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline?
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline has a molecular weight of 350.26 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline is sourced from PubChem (CID 66543424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).