3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline

C13H15BrN2O — CID 43526581

IUPAC3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccco1)Cc1c(N)cccc1Br
InChIInChI=1S/C13H15BrN2O/c1-16(8-10-4-3-7-17-10)9-11-12(14)5-2-6-13(11)15/h2-7H,8-9,15H2,1H3
InChIKeyMQDURDWSWLAQEY-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.26
Rot. Bonds4

About 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline

3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline (PubChem CID 43526581) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
PubChem CID43526581
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccco1)Cc1c(N)cccc1Br
InChIInChI=1S/C13H15BrN2O/c1-16(8-10-4-3-7-17-10)9-11-12(14)5-2-6-13(11)15/h2-7H,8-9,15H2,1H3
InChIKeyMQDURDWSWLAQEY-UHFFFAOYSA-N
XLogP3.26
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
3-bromo-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43349678
3-bromo-2-[[methyl(propan-2-yl)amino]methyl]aniline
CID 43349648
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
3-bromo-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059371
3-bromo-2-[[butan-2-yl(methyl)amino]methyl]aniline
CID 43272505
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
2-[[(2-bromophenyl)methyl-methylamino]methyl]-3-fluoroaniline
CID 63331058
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526580
3-bromo-4-[[furan-2-ylmethyl(methyl)amino]methyl]benzoic acid
CID 102767025
2-[(2-amino-6-bromophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438813
9-bromo-N-(furan-2-ylmethyl)-N-methylnonan-1-amine
CID 105343610

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline (CID 43526581) is 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccco1)Cc1c(N)cccc1Br.
What is the InChIKey of 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The InChIKey is MQDURDWSWLAQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-16(8-10-4-3-7-17-10)9-11-12(14)5-2-6-13(11)15/h2-7H,8-9,15H2,1H3.
What are the key properties of 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline has a molecular weight of 295.18 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43526581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).