2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine

C21H24BrNO2 — CID 54204930

IUPAC2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)OC(C)(C)C=C2c1ccc(Br)cc1
InChIInChI=1S/C21H24BrNO2/c1-21(2)14-19(15-5-7-16(22)8-6-15)18-10-9-17(13-20(18)25-21)24-12-11-23(3)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyPRVSLNOZJBJGJR-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.99
Rot. Bonds5

About 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine

2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine (PubChem CID 54204930) has the molecular formula C21H24BrNO2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine
PubChem CID54204930
Molecular FormulaC21H24BrNO2
Molecular Weight402.33 g/mol
Exact Mass401.10
IUPAC Name2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc2c(c1)OC(C)(C)C=C2c1ccc(Br)cc1
InChIInChI=1S/C21H24BrNO2/c1-21(2)14-19(15-5-7-16(22)8-6-15)18-10-9-17(13-20(18)25-21)24-12-11-23(3)4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyPRVSLNOZJBJGJR-UHFFFAOYSA-N
XLogP4.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine (CID 54204930) is 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine is CN(C)CCOc1ccc2c(c1)OC(C)(C)C=C2c1ccc(Br)cc1.
What is the InChIKey of 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine?
The InChIKey is PRVSLNOZJBJGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrNO2/c1-21(2)14-19(15-5-7-16(22)8-6-15)18-10-9-17(13-20(18)25-21)24-12-11-23(3)4/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine?
2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine has a molecular weight of 402.33 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromophenyl)-2,2-dimethylchromen-7-yl]oxy-N,N-dimethylethanamine is sourced from PubChem (CID 54204930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).