4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline

C16H16ClNO2 — CID 66362667

IUPAC4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
SMILESCc1ccc2c(c1)CC(COc1cc(N)ccc1Cl)O2
InChIInChI=1S/C16H16ClNO2/c1-10-2-5-15-11(6-10)7-13(20-15)9-19-16-8-12(18)3-4-14(16)17/h2-6,8,13H,7,9,18H2,1H3
InChIKeyOLJHDXUINQDMFG-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.61
Rot. Bonds3

About 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline

4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline (PubChem CID 66362667) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
PubChem CID66362667
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
SMILESCc1ccc2c(c1)CC(COc1cc(N)ccc1Cl)O2
InChIInChI=1S/C16H16ClNO2/c1-10-2-5-15-11(6-10)7-13(20-15)9-19-16-8-12(18)3-4-14(16)17/h2-6,8,13H,7,9,18H2,1H3
InChIKeyOLJHDXUINQDMFG-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.61
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

[3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanamine
CID 66362855
2-[(4-chloro-3-fluorophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 82727713
2-[[2-(bromomethyl)-3-chlorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 114320962
3-chloro-4-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]aniline
CID 66360029
2-[(2-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360595
2-[[2-(bromomethyl)-4-methylphenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360807
(2R)-2-(methoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 58740913
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
(1R)-1-[2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanol
CID 79036087
2-(difluoromethoxymethyl)-5-methyl-2,3-dihydro-1-benzofuran
CID 145338313
4-chloro-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrazol-3-amine
CID 66361747
2-[(3-iodophenoxy)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360407

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The IUPAC name of 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline (CID 66362667) is 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline.
What is the SMILES notation for 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The canonical SMILES for 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline is Cc1ccc2c(c1)CC(COc1cc(N)ccc1Cl)O2.
What is the InChIKey of 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
The InChIKey is OLJHDXUINQDMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-10-2-5-15-11(6-10)7-13(20-15)9-19-16-8-12(18)3-4-14(16)17/h2-6,8,13H,7,9,18H2,1H3.
What are the key properties of 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline?
4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline has a molecular weight of 289.76 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline is sourced from PubChem (CID 66362667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).