4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline

C17H20BrNO — CID 81292705

IUPAC4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCCc1cc(Br)ccc1NCc1cccc(COC)c1
InChIInChI=1S/C17H20BrNO/c1-3-15-10-16(18)7-8-17(15)19-11-13-5-4-6-14(9-13)12-20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQAAOBPMHFWUQCJ-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.77
Rot. Bonds6

About 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline

4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline (PubChem CID 81292705) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
PubChem CID81292705
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline
SMILESCCc1cc(Br)ccc1NCc1cccc(COC)c1
InChIInChI=1S/C17H20BrNO/c1-3-15-10-16(18)7-8-17(15)19-11-13-5-4-6-14(9-13)12-20-2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQAAOBPMHFWUQCJ-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
2-(2-methoxyethyl)-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 102847288
2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-ethylaniline
CID 81292228
5-bromo-N-[[3-(methoxymethyl)phenyl]methyl]-2-methylbenzenesulfonamide
CID 60539837
2-bromo-4-[(4-bromo-2-ethylanilino)methyl]-6-methoxyphenol
CID 81287311
N-[(2-ethylphenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 62392624
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
3-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylpyrazol-4-amine
CID 103909192
2,5-dibromo-N-[[3-(methoxymethyl)phenyl]methyl]benzamide
CID 114371778
1-ethyl-3-(methoxymethyl)benzene
CID 54065687

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The IUPAC name of 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline (CID 81292705) is 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline.
What is the SMILES notation for 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The canonical SMILES for 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline is CCc1cc(Br)ccc1NCc1cccc(COC)c1.
What is the InChIKey of 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
The InChIKey is QAAOBPMHFWUQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-15-10-16(18)7-8-17(15)19-11-13-5-4-6-14(9-13)12-20-2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline?
4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline has a molecular weight of 334.26 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-N-[[3-(methoxymethyl)phenyl]methyl]aniline is sourced from PubChem (CID 81292705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).