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

C17H20BrNO — CID 105401396

IUPACN-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1ccc(C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-17-9-12(2)5-8-16(17)19-11-14-7-6-13(3)15(18)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyJYVZVFYDKBLKSX-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.08
Rot. Bonds5

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

N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline (PubChem CID 105401396) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
PubChem CID105401396
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1ccc(C)c(Br)c1
InChIInChI=1S/C17H20BrNO/c1-4-20-17-9-12(2)5-8-16(17)19-11-14-7-6-13(3)15(18)10-14/h5-10,19H,4,11H2,1-3H3
InChIKeyJYVZVFYDKBLKSX-UHFFFAOYSA-N
XLogP5.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 126120613
N-[(4-bromo-3-methylphenyl)methyl]-4-methyl-2-propoxyaniline
CID 66472407
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
N-[(3-bromo-4,5-diethoxyphenyl)methyl]-2,4-dimethylaniline
CID 1210744
N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 115380178
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 102834467
N-[(3-bromo-4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 105401099
N-[(4-bromophenyl)methyl]-4-methyl-2-propoxyaniline
CID 63453167
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline (CID 105401396) is N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline is CCOc1cc(C)ccc1NCc1ccc(C)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline?
The InChIKey is JYVZVFYDKBLKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-4-20-17-9-12(2)5-8-16(17)19-11-14-7-6-13(3)15(18)10-14/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline?
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline is sourced from PubChem (CID 105401396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).