1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine

C14H18BrN — CID 18331749

IUPAC1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESBrc1cccc2c1CC(N1CCCC1)CC2
InChIInChI=1S/C14H18BrN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,12H,1-2,6-10H2
InChIKeyGSEOVLFKZRGDCP-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.40
Rot. Bonds1

About 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine

1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine (PubChem CID 18331749) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
PubChem CID18331749
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine
SMILESBrc1cccc2c1CC(N1CCCC1)CC2
InChIInChI=1S/C14H18BrN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,12H,1-2,6-10H2
InChIKeyGSEOVLFKZRGDCP-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aR,9bS)-3-Allyl-9-bromo-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10424408
(3aR,9bS)-9-Bromo-3-(3-methyl-but-2-enyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 9973280
(3aR,9bS)-9-Bromo-3-methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10061422
(3aR,9bS)-9-Bromo-3-butyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10086570
(3aR,9bS)-9-Bromo-3-(3-fluoro-propyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10335665
(3aR,9bS)-9-Bromo-3-(3-chloro-propyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10336649
(3aR,9bS)-9-Bromo-3-cyclopropylmethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10357784
(3aR,9bS)-9-Bromo-3-ethyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10423762
(3aR,9bS)-9-Bromo-3-but-3-enyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole
CID 10425232
(2S,4S)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729235
(2R,4R)-4-(2-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729237
(2S,4R)-4-(3-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729261

Frequently Asked Questions

What is the IUPAC name of 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The IUPAC name of 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine (CID 18331749) is 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine.
What is the SMILES notation for 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The canonical SMILES for 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine is Brc1cccc2c1CC(N1CCCC1)CC2.
What is the InChIKey of 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
The InChIKey is GSEOVLFKZRGDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-14-5-3-4-11-6-7-12(10-13(11)14)16-8-1-2-9-16/h3-5,12H,1-2,6-10H2.
What are the key properties of 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine?
1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine has a molecular weight of 280.21 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidine is sourced from PubChem (CID 18331749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).