1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C18H19BrClN — CID 107987343

IUPAC1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClN/c1-21-18(16-9-8-15(20)11-17(16)19)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3
InChIKeyFOQDTFBHMLXQDF-UHFFFAOYSA-N
MW364.71 g/mol
LogP5.29
Rot. Bonds3

About 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 107987343) has the molecular formula C18H19BrClN and a molecular weight of 364.71 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID107987343
Molecular FormulaC18H19BrClN
Molecular Weight364.71 g/mol
Exact Mass363.04
IUPAC Name1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1Br
InChIInChI=1S/C18H19BrClN/c1-21-18(16-9-8-15(20)11-17(16)19)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3
InChIKeyFOQDTFBHMLXQDF-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.71
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
[(2-bromo-5-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 114195282
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480640
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302367
1-(2-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480670
1-(3-bromo-4-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 115567194
N-methyl-1-(5-methylfuran-2-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480600
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(2,4-dibromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 107950588
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 107987636

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 107987343) is 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is CNC(c1ccc2c(c1)CCCC2)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is FOQDTFBHMLXQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN/c1-21-18(16-9-8-15(20)11-17(16)19)14-7-6-12-4-2-3-5-13(12)10-14/h6-11,18,21H,2-5H2,1H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 364.71 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 107987343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).