(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine

C17H18ClNO2 — CID 43330439

IUPAC(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3c(cc2Cl)OCCO3)c(C)c1
InChIInChI=1S/C17H18ClNO2/c1-10-3-4-12(11(2)7-10)17(19)13-8-15-16(9-14(13)18)21-6-5-20-15/h3-4,7-9,17H,5-6,19H2,1-2H3
InChIKeyLPLGRDOMFOOANL-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.78
Rot. Bonds2

About (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine

(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine (PubChem CID 43330439) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine
PubChem CID43330439
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2cc3c(cc2Cl)OCCO3)c(C)c1
InChIInChI=1S/C17H18ClNO2/c1-10-3-4-12(11(2)7-10)17(19)13-8-15-16(9-14(13)18)21-6-5-20-15/h3-4,7-9,17H,5-6,19H2,1-2H3
InChIKeyLPLGRDOMFOOANL-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,4-dimethylphenyl)methanamine
CID 81045582
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-dichlorophenyl)methanamine
CID 43330448
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 43330416
(1R)-1-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 82758605
6-bromo-7-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63433203
7-[bromo-(4-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63445103
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81453802
7-[bromo-(2-fluoro-5-methylphenyl)methyl]-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 63444787
(2-bromo-5-methylphenyl)-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 81111283
(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methanediamine
CID 116939189
(2,4-dimethylphenyl)-(2-methylphenyl)methanamine
CID 43198494
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine (CID 43330439) is (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2cc3c(cc2Cl)OCCO3)c(C)c1.
What is the InChIKey of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is LPLGRDOMFOOANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-10-3-4-12(11(2)7-10)17(19)13-8-15-16(9-14(13)18)21-6-5-20-15/h3-4,7-9,17H,5-6,19H2,1-2H3.
What are the key properties of (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine?
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 303.79 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 43330439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).