4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline

C17H18ClNO2 — CID 43350132

IUPAC4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
SMILESCC1(C)Cc2cccc(OCc3cc(N)ccc3Cl)c2O1
InChIInChI=1S/C17H18ClNO2/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-10-12-8-13(19)6-7-14(12)18/h3-8H,9-10,19H2,1-2H3
InChIKeyZJGDWGHSIUDPPH-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.21
Rot. Bonds3

About 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline

4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline (PubChem CID 43350132) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
PubChem CID43350132
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
SMILESCC1(C)Cc2cccc(OCc3cc(N)ccc3Cl)c2O1
InChIInChI=1S/C17H18ClNO2/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-10-12-8-13(19)6-7-14(12)18/h3-8H,9-10,19H2,1-2H3
InChIKeyZJGDWGHSIUDPPH-UHFFFAOYSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]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

3-bromo-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 60790561
3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]aniline
CID 13246036
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-fluoroaniline
CID 64769409
4-chloro-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]pyridine
CID 79256209
2,2-dimethyl-7-propoxy-3H-1-benzofuran
CID 54001928
4-chloro-3-[(2-ethylphenoxy)methyl]aniline
CID 43364206
N-[(2-chlorophenyl)methyl]-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842014
N-(3,4-dichlorophenyl)-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]benzamide
CID 26842050
[3-chloro-4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]phenyl]methanamine
CID 63087179
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]aniline
CID 61262577
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-5-ethyl-1,3,4-oxadiazole
CID 138998581
7-[(3-bromo-5-fluorophenyl)methoxy]-2,2-dimethyl-3H-1-benzofuran
CID 79698697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline?
The IUPAC name of 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline (CID 43350132) is 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline.
What is the SMILES notation for 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline?
The canonical SMILES for 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline is CC1(C)Cc2cccc(OCc3cc(N)ccc3Cl)c2O1.
What is the InChIKey of 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline?
The InChIKey is ZJGDWGHSIUDPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(2)9-11-4-3-5-15(16(11)21-17)20-10-12-8-13(19)6-7-14(12)18/h3-8H,9-10,19H2,1-2H3.
What are the key properties of 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline?
4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline has a molecular weight of 303.79 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline is sourced from PubChem (CID 43350132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).