8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide

C15H23BrClNO — CID 138400676

IUPAC8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
SMILESBr.COc1ccc(Cl)c2c1CCCC2N(C)C(C)C
InChIInChI=1S/C15H22ClNO.BrH/c1-10(2)17(3)13-7-5-6-11-14(18-4)9-8-12(16)15(11)13;/h8-10,13H,5-7H2,1-4H3;1H
InChIKeyBUIBSKKMPSUZLD-UHFFFAOYSA-N
MW348.71 g/mol
LogP4.64
Rot. Bonds3

About 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide

8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide (PubChem CID 138400676) has the molecular formula C15H23BrClNO and a molecular weight of 348.71 g/mol. Its IUPAC name is 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide.

Molecular Properties

Compound Name8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
PubChem CID138400676
Molecular FormulaC15H23BrClNO
Molecular Weight348.71 g/mol
Exact Mass347.07
IUPAC Name8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
SMILESBr.COc1ccc(Cl)c2c1CCCC2N(C)C(C)C
InChIInChI=1S/C15H22ClNO.BrH/c1-10(2)17(3)13-7-5-6-11-14(18-4)9-8-12(16)15(11)13;/h8-10,13H,5-7H2,1-4H3;1H
InChIKeyBUIBSKKMPSUZLD-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide with MolForge

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Related Compounds

Lometraline Hydrochloride
CID 11954263
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-methoxy-, hydrochloride, (R)-
CID 34788
Lometraline
CID 34789
8-Chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924813
8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924817
8-chloro-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
CID 34792
Pyrrolidine, 1-(1,2,3,4-tetrahydro-8-fluoro-5-methoxynaphthyl)-, hydrochloride
CID 3048231
1-[(8-Chloro-5-methoxy-3,4-dihydronaphthalen-2-yl)methyl]pyrrolidine;hydrobromide
CID 90673370
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-, hydrochloride, (S)-
CID 34782
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-, hydrochloride
CID 34784
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-N,N-dimethyl-5-methoxy-, hydrochloride, (S)-
CID 34786
1-Naphthylamine, 1,2,3,4-tetrahydro-8-chloro-5-methoxy-N-methyl-, hydrochloride, (S)-
CID 34790

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The IUPAC name of 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide (CID 138400676) is 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide.
What is the SMILES notation for 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The canonical SMILES for 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide is Br.COc1ccc(Cl)c2c1CCCC2N(C)C(C)C.
What is the InChIKey of 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
The InChIKey is BUIBSKKMPSUZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO.BrH/c1-10(2)17(3)13-7-5-6-11-14(18-4)9-8-12(16)15(11)13;/h8-10,13H,5-7H2,1-4H3;1H.
What are the key properties of 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide?
8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide has a molecular weight of 348.71 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-N-methyl-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide is sourced from PubChem (CID 138400676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).