6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine

C16H22BrNO — CID 114713374

IUPAC6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C2(C)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c1-4-18-13-10-16(3,15(2)7-8-15)19-14-6-5-11(17)9-12(13)14/h5-6,9,13,18H,4,7-8,10H2,1-3H3
InChIKeyPBRHMNZQBHUTSJ-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.44
Rot. Bonds3

About 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine

6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine (PubChem CID 114713374) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
PubChem CID114713374
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
SMILESCCNC1CC(C)(C2(C)CC2)Oc2ccc(Br)cc21
InChIInChI=1S/C16H22BrNO/c1-4-18-13-10-16(3,15(2)7-8-15)19-14-6-5-11(17)9-12(13)14/h5-6,9,13,18H,4,7-8,10H2,1-3H3
InChIKeyPBRHMNZQBHUTSJ-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N,2-diethyl-2-(methoxymethyl)-3,4-dihydrochromen-4-amine
CID 114713433
6-bromo-N,1'-diethylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114713417
N-ethyl-7-methoxy-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114710986
6-bromo-N-ethyl-4'-methoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713357
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
6-bromo-N-ethylspiro[3,4-dihydrochromene-2,3'-thiane]-4-amine
CID 114713382
7-bromo-N-ethylspiro[3,4-dihydrochromene-2,1'-cyclooctane]-4-amine
CID 114711827
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
7-bromo-N-ethyl-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114711811
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
7-bromo-2-butyl-N,2-diethyl-3,4-dihydrochromen-4-amine
CID 114711775

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine (CID 114713374) is 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine is CCNC1CC(C)(C2(C)CC2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is PBRHMNZQBHUTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c1-4-18-13-10-16(3,15(2)7-8-15)19-14-6-5-11(17)9-12(13)14/h5-6,9,13,18H,4,7-8,10H2,1-3H3.
What are the key properties of 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine?
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114713374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).