2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline

C15H19BrN2O — CID 62908366

IUPAC2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccoc2)c(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-11(17-2)13-4-5-15(14(16)8-13)18(3)9-12-6-7-19-10-12/h4-8,10-11,17H,9H2,1-3H3
InChIKeyNJZWVQWETRTFDS-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.96
Rot. Bonds5

About 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline

2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 62908366) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
PubChem CID62908366
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCNC(C)c1ccc(N(C)Cc2ccoc2)c(Br)c1
InChIInChI=1S/C15H19BrN2O/c1-11(17-2)13-4-5-15(14(16)8-13)18(3)9-12-6-7-19-10-12/h4-8,10-11,17H,9H2,1-3H3
InChIKeyNJZWVQWETRTFDS-UHFFFAOYSA-N
XLogP3.96
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.96
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

1-[3-bromo-4-[furan-3-ylmethyl(methyl)amino]phenyl]ethanol
CID 62909222
N-benzyl-2-bromo-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62907620
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(pyridin-3-ylmethyl)aniline
CID 62908343
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-methoxyethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 62910434
2-bromo-N-methyl-4-[1-(methylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 79476608
2-bromo-4-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-N-methylaniline
CID 62909357
1-(furan-3-ylmethyl)-1-methyl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61426804
2-fluoro-N-(furan-3-ylmethyl)-N-methyl-4-(methylaminomethyl)aniline
CID 61422400
2-bromo-N-ethyl-4-[1-(methylamino)ethyl]-N-propylaniline
CID 55133038
(1R)-1-[4-[benzyl(methyl)amino]-3-bromophenyl]ethanol
CID 55183003

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline (CID 62908366) is 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline is CNC(C)c1ccc(N(C)Cc2ccoc2)c(Br)c1.
What is the InChIKey of 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is NJZWVQWETRTFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-11(17-2)13-4-5-15(14(16)8-13)18(3)9-12-6-7-19-10-12/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline?
2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline has a molecular weight of 323.23 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-3-ylmethyl)-N-methyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 62908366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).