1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C14H19Br2N — CID 63513709

IUPAC1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CC(C)CCc2c(Br)ccc(Br)c21
InChIInChI=1S/C14H19Br2N/c1-3-17-13-8-9(2)4-5-10-11(15)6-7-12(16)14(10)13/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyIEEQUTOYBDZYRN-UHFFFAOYSA-N
MW361.12 g/mol
LogP4.83
Rot. Bonds2

About 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 63513709) has the molecular formula C14H19Br2N and a molecular weight of 361.12 g/mol. Its IUPAC name is 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID63513709
Molecular FormulaC14H19Br2N
Molecular Weight361.12 g/mol
Exact Mass358.99
IUPAC Name1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCCNC1CC(C)CCc2c(Br)ccc(Br)c21
InChIInChI=1S/C14H19Br2N/c1-3-17-13-8-9(2)4-5-10-11(15)6-7-12(16)14(10)13/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyIEEQUTOYBDZYRN-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.12
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine with MolForge

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Related Compounds

1,4-dibromo-7-methyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63513710
N-ethyl-1,4,7-trimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512835
10-bromo-N-ethyl-14-methyl-3,7-dioxatricyclo[9.5.0.02,8]hexadeca-1,8,10-trien-16-amine
CID 63513352
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-1-methoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943132
1,4-dibromo-7-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 63513697
6-bromo-9-methoxy-3-methyl-N-propyl-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889660
(2R)-8-bromo-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142027727
5-bromo-8-chloro-N-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 64698713
2-[(2-bromo-5-fluorophenyl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 63403747
N-ethyl-14-methyl-4,8-dioxatricyclo[9.5.0.03,9]hexadeca-1,3(9),10-trien-12-amine
CID 62943336
8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737652

Frequently Asked Questions

What is the IUPAC name of 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 63513709) is 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CCNC1CC(C)CCc2c(Br)ccc(Br)c21.
What is the InChIKey of 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is IEEQUTOYBDZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2N/c1-3-17-13-8-9(2)4-5-10-11(15)6-7-12(16)14(10)13/h6-7,9,13,17H,3-5,8H2,1-2H3.
What are the key properties of 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 361.12 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibromo-N-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 63513709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).