1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

C18H21BrN2 — CID 105007411

IUPAC1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(C)c(Br)c1)C1CCCc2cccnc21
InChIInChI=1S/C18H21BrN2/c1-12-8-9-14(11-16(12)19)17(20-2)15-7-3-5-13-6-4-10-21-18(13)15/h4,6,8-11,15,17,20H,3,5,7H2,1-2H3
InChIKeyALUYETCNRFLWHM-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.53
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine

1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (PubChem CID 105007411) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
PubChem CID105007411
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
SMILESCNC(c1ccc(C)c(Br)c1)C1CCCc2cccnc21
InChIInChI=1S/C18H21BrN2/c1-12-8-9-14(11-16(12)19)17(20-2)15-7-3-5-13-6-4-10-21-18(13)15/h4,6,8-11,15,17,20H,3,5,7H2,1-2H3
InChIKeyALUYETCNRFLWHM-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-methylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 105009845
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 107946281
1-(3-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748499
1-(4-bromo-3,5-dimethylphenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 114330478
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164680
1-(furan-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79748617
1-(3,4-dichlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 81491760
N-methyl-1-(3-methylthiophen-2-yl)-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007432
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164771
1-(2-chloro-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 106858088
1-(3-bromo-5-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 107946316
1-(2,6-dimethyl-3-pyridinyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105164715

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine (CID 105007411) is 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is CNC(c1ccc(C)c(Br)c1)C1CCCc2cccnc21.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
The InChIKey is ALUYETCNRFLWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-12-8-9-14(11-16(12)19)17(20-2)15-7-3-5-13-6-4-10-21-18(13)15/h4,6,8-11,15,17,20H,3,5,7H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine?
1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine has a molecular weight of 345.28 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine is sourced from PubChem (CID 105007411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).