6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

C18H26BrNO — CID 114713490

IUPAC6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCNC1CC2(CCCC2CC)Oc2ccc(Br)cc21
InChIInChI=1S/C18H26BrNO/c1-3-10-20-16-12-18(9-5-6-13(18)4-2)21-17-8-7-14(19)11-15(16)17/h7-8,11,13,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyRZNQGEJPMFWFKI-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.22
Rot. Bonds4

About 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine

6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (PubChem CID 114713490) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.

Molecular Properties

Compound Name6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
PubChem CID114713490
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC Name6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
SMILESCCCNC1CC2(CCCC2CC)Oc2ccc(Br)cc21
InChIInChI=1S/C18H26BrNO/c1-3-10-20-16-12-18(9-5-6-13(18)4-2)21-17-8-7-14(19)11-15(16)17/h7-8,11,13,16,20H,3-6,9-10,12H2,1-2H3
InChIKeyRZNQGEJPMFWFKI-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114710059
6-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114715465
6-bromo-3'-methyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine
CID 114713502
6-bromo-N-ethyl-2'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713407
6-bromo-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713547
6-bromo-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114713557
7-bromo-2'-ethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 114714615
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
6-chloro-2'-methyl-N-propylspiro[3,4-dihydrochromene-2,3'-oxolane]-4-amine
CID 114711490
N,2'-diethyl-7-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713808
6-bromo-N-ethyl-2-methyl-2-(1-methylcyclopropyl)-3,4-dihydrochromen-4-amine
CID 114713374
6-bromo-3'-ethyl-N-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114713327

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The IUPAC name of 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine (CID 114713490) is 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine.
What is the SMILES notation for 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The canonical SMILES for 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is CCCNC1CC2(CCCC2CC)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
The InChIKey is RZNQGEJPMFWFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-3-10-20-16-12-18(9-5-6-13(18)4-2)21-17-8-7-14(19)11-15(16)17/h7-8,11,13,16,20H,3-6,9-10,12H2,1-2H3.
What are the key properties of 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine?
6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine has a molecular weight of 352.32 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2'-ethyl-N-propylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-amine is sourced from PubChem (CID 114713490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).