6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

C14H18BrClFN — CID 105400200

IUPAC6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2c(F)cc(Br)c(Cl)c21
InChIInChI=1S/C14H18BrClFN/c1-4-5-18-10-7-14(2,3)12-9(17)6-8(15)13(16)11(10)12/h6,10,18H,4-5,7H2,1-3H3
InChIKeyACGSVQMICJAACT-UHFFFAOYSA-N
MW334.66 g/mol
LogP4.96
Rot. Bonds3

About 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine

6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (PubChem CID 105400200) has the molecular formula C14H18BrClFN and a molecular weight of 334.66 g/mol. Its IUPAC name is 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.

Molecular Properties

Compound Name6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
PubChem CID105400200
Molecular FormulaC14H18BrClFN
Molecular Weight334.66 g/mol
Exact Mass333.03
IUPAC Name6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
SMILESCCCNC1CC(C)(C)c2c(F)cc(Br)c(Cl)c21
InChIInChI=1S/C14H18BrClFN/c1-4-5-18-10-7-14(2,3)12-9(17)6-8(15)13(16)11(10)12/h6,10,18H,4-5,7H2,1-3H3
InChIKeyACGSVQMICJAACT-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.66
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4,6-dichloro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine
CID 79837283
5-bromo-4,7-dichloro-N-propyl-2,3-dihydro-1-benzofuran-3-amine
CID 107659799
(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837850
6-bromo-N-ethyl-4,7-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 105057489
3,3,5,6-tetramethyl-N-propyl-1,2-dihydroinden-1-amine
CID 115483170
7-chloro-8-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 116689692
8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
CID 64699313
4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 103304622
3,3-dimethyl-N-propyl-2,5,6,7-tetrahydro-1H-s-indacen-1-amine
CID 115483148
6-bromo-4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383412
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66357740
1-chloro-3,4-difluoro-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107477722

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The IUPAC name of 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine (CID 105400200) is 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine.
What is the SMILES notation for 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The canonical SMILES for 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is CCCNC1CC(C)(C)c2c(F)cc(Br)c(Cl)c21.
What is the InChIKey of 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
The InChIKey is ACGSVQMICJAACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFN/c1-4-5-18-10-7-14(2,3)12-9(17)6-8(15)13(16)11(10)12/h6,10,18H,4-5,7H2,1-3H3.
What are the key properties of 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine?
6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine has a molecular weight of 334.66 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-chloro-4-fluoro-3,3-dimethyl-N-propyl-1,2-dihydroinden-1-amine is sourced from PubChem (CID 105400200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).