(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C12H16BrNO — CID 115417509

IUPAC(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Br)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C12H16BrNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3/t7?,9-/m0/s1
InChIKeyFTRSGDDSUGPVRA-NETXQHHPSA-N
MW270.17 g/mol
LogP3.35
Rot. Bonds1

About (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115417509) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115417509
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(Br)c2c1C(C)CC[C@@H]2N
InChIInChI=1S/C12H16BrNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3/t7?,9-/m0/s1
InChIKeyFTRSGDDSUGPVRA-NETXQHHPSA-N
XLogP3.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104546598
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
(4S)-8-bromo-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130615757
(5R)-6-bromo-9-methoxy-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 82889988
7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417584
(1R)-7,8-dimethoxy-4,5-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417582
4-bromo-1-methoxy-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943132
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417474
5,8-dimethoxy-1,4-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687985
(4S)-5-bromo-8-methoxy-3,4-dihydro-1H-isothiochromen-4-amine
CID 82885959
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
(1R)-8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417812

Frequently Asked Questions

What is the IUPAC name of (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115417509) is (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc(Br)c2c1C(C)CC[C@@H]2N.
What is the InChIKey of (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is FTRSGDDSUGPVRA-NETXQHHPSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-7-3-5-9(14)12-8(13)4-6-10(15-2)11(7)12/h4,6-7,9H,3,5,14H2,1-2H3/t7?,9-/m0/s1.
What are the key properties of (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 270.17 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115417509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).