1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine

C18H27BrN2 — CID 66471626

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCC2CCCCC2N1
InChIInChI=1S/C18H27BrN2/c1-21(12-14-5-4-7-16(19)11-14)13-17-10-9-15-6-2-3-8-18(15)20-17/h4-5,7,11,15,17-18,20H,2-3,6,8-10,12-13H2,1H3
InChIKeyLHGKETGMDFPGES-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.19
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine (PubChem CID 66471626) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
PubChem CID66471626
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Br)c1)CC1CCC2CCCCC2N1
InChIInChI=1S/C18H27BrN2/c1-21(12-14-5-4-7-16(19)11-14)13-17-10-9-15-6-2-3-8-18(15)20-17/h4-5,7,11,15,17-18,20H,2-3,6,8-10,12-13H2,1H3
InChIKeyLHGKETGMDFPGES-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]methanamine
CID 66469407
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl)-N-[(4-fluorophenyl)methyl]-N-methylmethanamine
CID 61413648
2-[[(3-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 62615283
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclohexyl-N-methylmethanamine
CID 66470216
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpiperazin-2-yl)methanamine
CID 115238727
N-[(3-bromophenyl)methyl]-N-methyl-1-(4-methylpyrrolidin-3-yl)methanamine
CID 63716370
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 65487131
[5-[[(3-bromophenyl)methyl-methylamino]methyl]oxolan-2-yl]methanamine
CID 62461292
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-3-methylaniline
CID 66469810
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine (CID 66471626) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine is CN(Cc1cccc(Br)c1)CC1CCC2CCCCC2N1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine?
The InChIKey is LHGKETGMDFPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-21(12-14-5-4-7-16(19)11-14)13-17-10-9-15-6-2-3-8-18(15)20-17/h4-5,7,11,15,17-18,20H,2-3,6,8-10,12-13H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine has a molecular weight of 351.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-[(3-bromophenyl)methyl]-N-methylmethanamine is sourced from PubChem (CID 66471626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).