N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

C19H22BrN — CID 104851214

IUPACN-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-3-21-19(17-9-13(2)10-18(20)12-17)16-8-7-14-5-4-6-15(14)11-16/h7-12,19,21H,3-6H2,1-2H3
InChIKeyHPMJYSRECSKGGC-UHFFFAOYSA-N
MW344.30 g/mol
LogP4.95
Rot. Bonds4

About N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine

N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (PubChem CID 104851214) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
PubChem CID104851214
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC NameN-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(Br)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-3-21-19(17-9-13(2)10-18(20)12-17)16-8-7-14-5-4-6-15(14)11-16/h7-12,19,21H,3-6H2,1-2H3
InChIKeyHPMJYSRECSKGGC-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 107998636
N-[(3-bromo-5-methylphenyl)-(3,4-dichlorophenyl)methyl]ethanamine
CID 104851219
N-[(4-chlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43488967
N-[(3-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 107130305
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
N-[(3-bromo-4-methoxyphenyl)-(3-bromo-5-methylphenyl)methyl]ethanamine
CID 104851189
(3-bromo-5-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 104851102
N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine
CID 43491715
N-[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]ethanamine
CID 43416858
N-[2,3-dihydro-1H-inden-5-yl(furan-2-yl)methyl]ethanamine
CID 43491712
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-ethylethanamine
CID 43491775
N-[(3-bromo-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 115852310

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The IUPAC name of N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine (CID 104851214) is N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is CCNC(c1cc(C)cc(Br)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
The InChIKey is HPMJYSRECSKGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN/c1-3-21-19(17-9-13(2)10-18(20)12-17)16-8-7-14-5-4-6-15(14)11-16/h7-12,19,21H,3-6H2,1-2H3.
What are the key properties of N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine?
N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine has a molecular weight of 344.30 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]ethanamine is sourced from PubChem (CID 104851214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).