N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C18H20BrNO — CID 107572282

IUPACN-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(C)c(Br)c(C)c1)CC2
InChIInChI=1S/C18H20BrNO/c1-11-8-14(9-12(2)18(11)19)20-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,8-10,17,20H,5,7H2,1-3H3
InChIKeyDNDXACIHACVELS-UHFFFAOYSA-N
MW346.27 g/mol
LogP5.17
Rot. Bonds3

About N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 107572282) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID107572282
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1cc(C)c(Br)c(C)c1)CC2
InChIInChI=1S/C18H20BrNO/c1-11-8-14(9-12(2)18(11)19)20-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,8-10,17,20H,5,7H2,1-3H3
InChIKeyDNDXACIHACVELS-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
6-methoxy-N-(4-methylsulfanylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79367211
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
7-methoxy-N-(3-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239327
6-methoxy-N-(4-propylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369357
6-methoxy-N-(4-nitrophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79369623
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648480
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 107572282) is N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1cc(C)c(Br)c(C)c1)CC2.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DNDXACIHACVELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-11-8-14(9-12(2)18(11)19)20-17-7-5-13-4-6-15(21-3)10-16(13)17/h4,6,8-10,17,20H,5,7H2,1-3H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 346.27 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107572282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).