N-[(2-bromophenyl)methyl]-3-ethoxyaniline

C15H16BrNO — CID 54865434

IUPACN-[(2-bromophenyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-2-18-14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,2,11H2,1H3
InChIKeyJYQVSXHWTBUWRY-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.46
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-3-ethoxyaniline

N-[(2-bromophenyl)methyl]-3-ethoxyaniline (PubChem CID 54865434) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-3-ethoxyaniline.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-3-ethoxyaniline
PubChem CID54865434
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC NameN-[(2-bromophenyl)methyl]-3-ethoxyaniline
SMILESCCOc1cccc(NCc2ccccc2Br)c1
InChIInChI=1S/C15H16BrNO/c1-2-18-14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,2,11H2,1H3
InChIKeyJYQVSXHWTBUWRY-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 54800907
3-[(3-ethoxyanilino)methyl]benzene-1,2-diol
CID 61319719
N-[(2-cyclopropylphenyl)methyl]-3-ethoxyaniline
CID 79979514
N-[(2-ethoxyphenyl)methyl]-3-propoxyaniline
CID 43693650
N-[(3-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 103817901
N-[(5-bromofuran-2-yl)methyl]-3-ethoxyaniline
CID 54865011
N-[(5-bromothiophen-2-yl)methyl]-3-ethoxyaniline
CID 54864892
N-[(6-bromo-2-pyridinyl)methyl]-3-ethoxyaniline
CID 112582167
3-ethoxy-N-propylaniline
CID 54800867
3-ethoxy-N-(pyridin-4-ylmethyl)aniline
CID 54864999
4-bromo-N-[(2-ethoxyphenyl)methyl]-3-methylaniline
CID 28546731
N'-(3,5-dimethylphenyl)-N-(3-ethoxyphenyl)ethane-1,2-diamine
CID 54807611

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-3-ethoxyaniline?
The IUPAC name of N-[(2-bromophenyl)methyl]-3-ethoxyaniline (CID 54865434) is N-[(2-bromophenyl)methyl]-3-ethoxyaniline.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-3-ethoxyaniline?
The canonical SMILES for N-[(2-bromophenyl)methyl]-3-ethoxyaniline is CCOc1cccc(NCc2ccccc2Br)c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-3-ethoxyaniline?
The InChIKey is JYQVSXHWTBUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-2-18-14-8-5-7-13(10-14)17-11-12-6-3-4-9-15(12)16/h3-10,17H,2,11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-3-ethoxyaniline?
N-[(2-bromophenyl)methyl]-3-ethoxyaniline has a molecular weight of 306.20 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-3-ethoxyaniline is sourced from PubChem (CID 54865434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).