1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine

C19H22BrN — CID 106892754

IUPAC1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)cc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H22BrN/c1-12-9-18(20)13(2)8-17(12)19(21-3)16-10-14-6-4-5-7-15(14)11-16/h4-9,16,19,21H,10-11H2,1-3H3
InChIKeyIGQXVMGHVHTXAC-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.74
Rot. Bonds3

About 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine

1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine (PubChem CID 106892754) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
PubChem CID106892754
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)cc1C)C1Cc2ccccc2C1
InChIInChI=1S/C19H22BrN/c1-12-9-18(20)13(2)8-17(12)19(21-3)16-10-14-6-4-5-7-15(14)11-16/h4-9,16,19,21H,10-11H2,1-3H3
InChIKeyIGQXVMGHVHTXAC-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-(5-bromofuran-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892781
1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 107476284
(2,5-dibromo-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107126582
2-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 106893941
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
2-[(5-bromo-2-methoxy-4-methylphenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 106893940
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
1-(2,3-dihydro-1H-inden-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 65410726
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
N-[(2,5-dibromophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]ethanamine
CID 106892710

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine (CID 106892754) is 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(Br)cc1C)C1Cc2ccccc2C1.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The InChIKey is IGQXVMGHVHTXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-12-9-18(20)13(2)8-17(12)19(21-3)16-10-14-6-4-5-7-15(14)11-16/h4-9,16,19,21H,10-11H2,1-3H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine is sourced from PubChem (CID 106892754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).