1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

C18H20BrN — CID 43480640

IUPAC1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20BrN/c1-20-18(15-7-4-8-17(19)12-15)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12,18,20H,2-3,5-6H2,1H3
InChIKeyAGBSEXXLAKPVQB-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.64
Rot. Bonds3

About 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine

1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (PubChem CID 43480640) has the molecular formula C18H20BrN and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
PubChem CID43480640
Molecular FormulaC18H20BrN
Molecular Weight330.27 g/mol
Exact Mass329.08
IUPAC Name1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
SMILESCNC(c1cccc(Br)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H20BrN/c1-20-18(15-7-4-8-17(19)12-15)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12,18,20H,2-3,5-6H2,1H3
InChIKeyAGBSEXXLAKPVQB-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018724
1-[4-(aminomethyl)phenyl]-1-(3-bromophenyl)-N-methylmethanamine
CID 116952245
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107987343
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(2-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480670
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The IUPAC name of 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine (CID 43480640) is 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is CNC(c1cccc(Br)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
The InChIKey is AGBSEXXLAKPVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN/c1-20-18(15-7-4-8-17(19)12-15)16-10-9-13-5-2-3-6-14(13)11-16/h4,7-12,18,20H,2-3,5-6H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine?
1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine has a molecular weight of 330.27 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine is sourced from PubChem (CID 43480640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).