3-bromo-N,N-bis(2-methoxyethyl)aniline

C12H18BrNO2 — CID 146003902

IUPAC3-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyVVDXULPWRFJZBI-UHFFFAOYSA-N
MW288.19 g/mol
LogP2.55
Rot. Bonds7

About 3-bromo-N,N-bis(2-methoxyethyl)aniline

3-bromo-N,N-bis(2-methoxyethyl)aniline (PubChem CID 146003902) has the molecular formula C12H18BrNO2 and a molecular weight of 288.19 g/mol. Its IUPAC name is 3-bromo-N,N-bis(2-methoxyethyl)aniline.

Molecular Properties

Compound Name3-bromo-N,N-bis(2-methoxyethyl)aniline
PubChem CID146003902
Molecular FormulaC12H18BrNO2
Molecular Weight288.19 g/mol
Exact Mass287.05
IUPAC Name3-bromo-N,N-bis(2-methoxyethyl)aniline
SMILESCOCCN(CCOC)c1cccc(Br)c1
InChIInChI=1S/C12H18BrNO2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3
InChIKeyVVDXULPWRFJZBI-UHFFFAOYSA-N
XLogP2.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-N,3-N-bis(2-methoxyethyl)benzene-1,3-diamine
CID 43587927
N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)-3-methylaniline
CID 124925556
3-bromo-N-ethyl-N-propylaniline
CID 58544975
3-methoxy-N-[2-(2-methoxyethoxy)ethyl]-N-(2-methoxyethyl)aniline
CID 166462130
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
2-[3-(aminomethyl)-N-(2-methoxyethyl)anilino]ethanol
CID 102814298
3-[bis[2-(2-methoxyethoxy)ethyl]amino]phenol
CID 59211296
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420
3-[bis(2-methoxyethyl)amino]-5-bromobenzoic acid
CID 102822850
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
2-[3-bromo-N-[2-(2-methylpropanoyloxy)ethyl]anilino]ethyl 2-iodo-2-methylpropanoate
CID 162509386
2-(aminomethyl)-5-bromo-N,N-bis(2-methoxyethyl)aniline
CID 61418446

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-bis(2-methoxyethyl)aniline?
The IUPAC name of 3-bromo-N,N-bis(2-methoxyethyl)aniline (CID 146003902) is 3-bromo-N,N-bis(2-methoxyethyl)aniline.
What is the SMILES notation for 3-bromo-N,N-bis(2-methoxyethyl)aniline?
The canonical SMILES for 3-bromo-N,N-bis(2-methoxyethyl)aniline is COCCN(CCOC)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N,N-bis(2-methoxyethyl)aniline?
The InChIKey is VVDXULPWRFJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2/c1-15-8-6-14(7-9-16-2)12-5-3-4-11(13)10-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 3-bromo-N,N-bis(2-methoxyethyl)aniline?
3-bromo-N,N-bis(2-methoxyethyl)aniline has a molecular weight of 288.19 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-bis(2-methoxyethyl)aniline is sourced from PubChem (CID 146003902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).