4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

C18H20BrNO2 — CID 119123661

IUPAC4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(Br)cccc32)cc1OC
InChIInChI=1S/C18H20BrNO2/c1-21-17-9-6-12(10-18(17)22-2)11-20-16-8-7-13-14(16)4-3-5-15(13)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3
InChIKeyYZRSLAGSAMZVMY-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.24
Rot. Bonds5

About 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine

4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 119123661) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID119123661
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc(CNC2CCc3c(Br)cccc32)cc1OC
InChIInChI=1S/C18H20BrNO2/c1-21-17-9-6-12(10-18(17)22-2)11-20-16-8-7-13-14(16)4-3-5-15(13)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3
InChIKeyYZRSLAGSAMZVMY-UHFFFAOYSA-N
XLogP4.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
N-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine;hydrobromide
CID 75531448
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 61401434
4-bromo-N-(2-methoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 103930811
4-fluoro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78978052
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
4-bromo-N-(1,2-oxazol-5-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 114185903
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 103910649
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
4-bromo-N-[(5-nitrothiophen-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123652

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 119123661) is 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is COc1ccc(CNC2CCc3c(Br)cccc32)cc1OC.
What is the InChIKey of 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YZRSLAGSAMZVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-21-17-9-6-12(10-18(17)22-2)11-20-16-8-7-13-14(16)4-3-5-15(13)19/h3-6,9-10,16,20H,7-8,11H2,1-2H3.
What are the key properties of 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 362.27 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 119123661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).