8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

C12H16BrN — CID 18314199

IUPAC8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2cccc(Br)c2C1
InChIInChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3
InChIKeyLMIKROMBLAHKDQ-UHFFFAOYSA-N
MW254.17 g/mol
LogP2.87
Rot. Bonds1

About 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 18314199) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID18314199
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCN(C)C1CCc2cccc(Br)c2C1
InChIInChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3
InChIKeyLMIKROMBLAHKDQ-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

n,n-Dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 242461
(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-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-(4-bromophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 118729245

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 18314199) is 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is CN(C)C1CCc2cccc(Br)c2C1.
What is the InChIKey of 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is LMIKROMBLAHKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-14(2)10-7-6-9-4-3-5-12(13)11(9)8-10/h3-5,10H,6-8H2,1-2H3.
What are the key properties of 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 254.17 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 18314199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).