2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline

C16H21BrN2O — CID 62909357

IUPAC2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccco2)c(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-4-18-12(2)13-7-8-16(15(17)10-13)19(3)11-14-6-5-9-20-14/h5-10,12,18H,4,11H2,1-3H3
InChIKeyDFYQQMJKXYDMJX-UHFFFAOYSA-N
MW337.26 g/mol
LogP4.35
Rot. Bonds6

About 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline

2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 62909357) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID62909357
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC Name2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCCNC(C)c1ccc(N(C)Cc2ccco2)c(Br)c1
InChIInChI=1S/C16H21BrN2O/c1-4-18-12(2)13-7-8-16(15(17)10-13)19(3)11-14-6-5-9-20-14/h5-10,12,18H,4,11H2,1-3H3
InChIKeyDFYQQMJKXYDMJX-UHFFFAOYSA-N
XLogP4.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62908849
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 43526990
(1S)-1-[3-bromo-4-[ethyl(furan-2-ylmethyl)amino]phenyl]ethanol
CID 78940037
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
2-bromo-4-[1-(ethylamino)ethyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 62912215
N-benzyl-2-bromo-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62907620
2-bromo-4-[1-(ethylamino)ethyl]-N-(1-methoxypropan-2-yl)-N-methylaniline
CID 62912192
2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62908366
2-[1-(ethylamino)propyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 115994861
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-[(2-methylphenyl)methyl]aniline
CID 63532074
2-bromo-N-[(2-fluorophenyl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910220
2-bromo-N-(2-ethoxyethyl)-N-ethyl-4-[1-(ethylamino)ethyl]aniline
CID 63697741

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline (CID 62909357) is 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline is CCNC(C)c1ccc(N(C)Cc2ccco2)c(Br)c1.
What is the InChIKey of 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is DFYQQMJKXYDMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c1-4-18-12(2)13-7-8-16(15(17)10-13)19(3)11-14-6-5-9-20-14/h5-10,12,18H,4,11H2,1-3H3.
What are the key properties of 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline?
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 337.26 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 62909357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).