6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine

C15H22BrNO2 — CID 114713433

IUPAC6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(COC)Oc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO2/c1-4-15(10-18-3)9-13(17-5-2)12-8-11(16)6-7-14(12)19-15/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyCWJFFLZOFSUSBF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.68
Rot. Bonds5

About 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine

6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine (PubChem CID 114713433) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
PubChem CID114713433
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(CC)(COC)Oc2ccc(Br)cc21
InChIInChI=1S/C15H22BrNO2/c1-4-15(10-18-3)9-13(17-5-2)12-8-11(16)6-7-14(12)19-15/h6-8,13,17H,4-5,9-10H2,1-3H3
InChIKeyCWJFFLZOFSUSBF-UHFFFAOYSA-N
XLogP3.68
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114715563
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-chloro-2-ethyl-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114711486
2-ethyl-6-methoxy-2-(methoxymethyl)-N-propyl-3,4-dihydrochromen-4-amine
CID 114713126
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
CID 114711775
7-bromo-2-ethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-ol
CID 114714714
N,2,2-triethyl-6-propan-2-yloxy-3,4-dihydrochromen-4-amine
CID 82462595
6-bromo-2-ethyl-N-methyl-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114713216
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
6-bromo-2,2-diethyl-3,4-dihydrochromen-4-amine
CID 114709977
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine (CID 114713433) is 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine is CCNC1CC(CC)(COC)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine?
The InChIKey is CWJFFLZOFSUSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-4-15(10-18-3)9-13(17-5-2)12-8-11(16)6-7-14(12)19-15/h6-8,13,17H,4-5,9-10H2,1-3H3.
What are the key properties of 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine?
6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine has a molecular weight of 328.25 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114713433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).