2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

C13H15ClN2O — CID 63204464

IUPAC2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccoc2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-16(2)13-4-3-11(7-12(13)14)15-8-10-5-6-17-9-10/h3-7,9,15H,8H2,1-2H3
InChIKeyYDHZPESQLZVRLB-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.61
Rot. Bonds4

About 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine

2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (PubChem CID 63204464) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
PubChem CID63204464
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(NCc2ccoc2)cc1Cl
InChIInChI=1S/C13H15ClN2O/c1-16(2)13-4-3-11(7-12(13)14)15-8-10-5-6-17-9-10/h3-7,9,15H,8H2,1-2H3
InChIKeyYDHZPESQLZVRLB-UHFFFAOYSA-N
XLogP3.61
TPSA28.41 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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine 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

3-chloro-N-(furan-3-ylmethyl)-4-methylsulfanylaniline
CID 115744212
3-chloro-N-(furan-3-ylmethyl)-4-methoxyaniline
CID 63203405
4-N-[(4-bromophenyl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450826
4-chloro-N-(furan-3-ylmethyl)-3-methoxyaniline
CID 107268066
N-(furan-3-ylmethyl)-3,4-dimethylaniline
CID 63204332
4-N-[(5-bromothiophen-3-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865415
4-N-[(5-bromofuran-2-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865355
2-chloro-4-N-(1H-indol-6-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 102910164
2-chloro-4-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 60934643
4-fluoro-N-(furan-3-ylmethyl)-3-methylaniline
CID 63204789
2-chloro-1-N,1-N-dimethyl-4-N-[(3-methylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66118351
2-chloro-1-N,1-N-dimethyl-4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 54865344

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine (CID 63204464) is 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(NCc2ccoc2)cc1Cl.
What is the InChIKey of 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
The InChIKey is YDHZPESQLZVRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-16(2)13-4-3-11(7-12(13)14)15-8-10-5-6-17-9-10/h3-7,9,15H,8H2,1-2H3.
What are the key properties of 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine?
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine has a molecular weight of 250.73 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 63204464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).