2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline

C13H15ClN2O — CID 43526580

IUPAC2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)c(N)c1)Cc1ccco1
InChIInChI=1S/C13H15ClN2O/c1-16(9-11-3-2-6-17-11)8-10-4-5-12(14)13(15)7-10/h2-7H,8-9,15H2,1H3
InChIKeyIFFBPOZATLHLFE-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.15
Rot. Bonds4

About 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline

2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline (PubChem CID 43526580) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
PubChem CID43526580
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(Cl)c(N)c1)Cc1ccco1
InChIInChI=1S/C13H15ClN2O/c1-16(9-11-3-2-6-17-11)8-10-4-5-12(14)13(15)7-10/h2-7H,8-9,15H2,1H3
InChIKeyIFFBPOZATLHLFE-UHFFFAOYSA-N
XLogP3.15
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
1-(3-bromo-4-fluorophenyl)-N-(furan-2-ylmethyl)-N-methylmethanamine
CID 61036810
4-fluoro-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526553
2-chloro-5-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 65485068
2-chloro-5-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 79476185
2-chloro-5-[[(2-methoxyphenyl)methyl-methylamino]methyl]aniline
CID 61420544
5-chloro-6-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62891483
3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526581
2-chloro-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63842276
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347
4-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 43458300
2-chloro-5-[[ethyl(propan-2-yl)amino]methyl]aniline
CID 43265322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline (CID 43526580) is 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(Cl)c(N)c1)Cc1ccco1.
What is the InChIKey of 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
The InChIKey is IFFBPOZATLHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16(9-11-3-2-6-17-11)8-10-4-5-12(14)13(15)7-10/h2-7H,8-9,15H2,1H3.
What are the key properties of 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline?
2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline has a molecular weight of 250.73 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[furan-2-ylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43526580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).