8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine

C16H16ClNO3 — CID 29062536

IUPAC8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
SMILESNc1cc2c(c(COCc3ccccc3Cl)c1)OCOC2
InChIInChI=1S/C16H16ClNO3/c17-15-4-2-1-3-11(15)7-19-8-12-5-14(18)6-13-9-20-10-21-16(12)13/h1-6H,7-10,18H2
InChIKeyBFZISAMGQWMVGS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.51
Rot. Bonds4

About 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine

8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine (PubChem CID 29062536) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine.

Molecular Properties

Compound Name8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
PubChem CID29062536
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine
SMILESNc1cc2c(c(COCc3ccccc3Cl)c1)OCOC2
InChIInChI=1S/C16H16ClNO3/c17-15-4-2-1-3-11(15)7-19-8-12-5-14(18)6-13-9-20-10-21-16(12)13/h1-6H,7-10,18H2
InChIKeyBFZISAMGQWMVGS-UHFFFAOYSA-N
XLogP3.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-(phenylmethoxymethyl)-4H-1,3-benzodioxin-6-amine
CID 43148396
8-[(2,6-dichlorophenoxy)methyl]-4H-1,3-benzodioxin-6-amine
CID 60801080
8-[(2-chloro-6-fluorophenoxy)methyl]-4H-1,3-benzodioxin-6-amine
CID 83052477
8-[(3,5-dimethylcyclohexyl)oxymethyl]-4H-1,3-benzodioxin-6-amine
CID 64728367
8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
CID 43627572
(Z)-N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(2,3-dichlorophenyl)methanimine
CID 7701444
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
8-[[(S)-(2-chlorophenyl)methylsulfinyl]methyl]-6-fluoro-4H-1,3-benzodioxine
CID 97080033
4-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl-methylamino]phenol
CID 107733770
1-[(6-amino-4H-1,3-benzodioxin-8-yl)methyl]pyridin-4-one
CID 62880650
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]aniline
CID 2803798
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-hydroxybenzoate
CID 7484890

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine?
The IUPAC name of 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine (CID 29062536) is 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine.
What is the SMILES notation for 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine?
The canonical SMILES for 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine is Nc1cc2c(c(COCc3ccccc3Cl)c1)OCOC2.
What is the InChIKey of 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine?
The InChIKey is BFZISAMGQWMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-15-4-2-1-3-11(15)7-19-8-12-5-14(18)6-13-9-20-10-21-16(12)13/h1-6H,7-10,18H2.
What are the key properties of 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine?
8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine has a molecular weight of 305.76 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)methoxymethyl]-4H-1,3-benzodioxin-6-amine is sourced from PubChem (CID 29062536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).