N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline

C17H20BrNO — CID 126121511

IUPACN-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
SMILESCCOc1ccc(Br)cc1CNc1ccccc1CC
InChIInChI=1S/C17H20BrNO/c1-3-13-7-5-6-8-16(13)19-12-14-11-15(18)9-10-17(14)20-4-2/h5-11,19H,3-4,12H2,1-2H3
InChIKeyKVKYUCZZLUZFBS-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.02
Rot. Bonds6

About N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline

N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline (PubChem CID 126121511) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
PubChem CID126121511
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC NameN-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline
SMILESCCOc1ccc(Br)cc1CNc1ccccc1CC
InChIInChI=1S/C17H20BrNO/c1-3-13-7-5-6-8-16(13)19-12-14-11-15(18)9-10-17(14)20-4-2/h5-11,19H,3-4,12H2,1-2H3
InChIKeyKVKYUCZZLUZFBS-UHFFFAOYSA-N
XLogP5.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-bromo-2-(naphthalen-1-ylmethoxy)phenyl]methyl]-2-ethylaniline
CID 126121639
N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethoxyaniline
CID 43088137
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethylaniline
CID 81291722
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylaniline
CID 43766070
4-[(5-bromo-2-ethoxyphenyl)methylamino]-3-methylbenzoic acid
CID 17059589
N-[(5-bromo-2-ethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292192
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-chloroaniline
CID 126184009
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888
2-ethyl-N-[(2-ethylphenyl)methyl]aniline
CID 55197677
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
N-[(5-bromo-2-ethoxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 15943327
N-[(5-chloro-2-prop-2-ynoxyphenyl)methyl]-2-ethylaniline
CID 126122492

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline?
The IUPAC name of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline (CID 126121511) is N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline.
What is the SMILES notation for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline?
The canonical SMILES for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline is CCOc1ccc(Br)cc1CNc1ccccc1CC.
What is the InChIKey of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline?
The InChIKey is KVKYUCZZLUZFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-13-7-5-6-8-16(13)19-12-14-11-15(18)9-10-17(14)20-4-2/h5-11,19H,3-4,12H2,1-2H3.
What are the key properties of N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline?
N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline has a molecular weight of 334.26 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-ethoxyphenyl)methyl]-2-ethylaniline is sourced from PubChem (CID 126121511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).