[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine

C18H20BrNO — CID 65407520

IUPAC[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(CCOc2ccc(Br)cc2)CCc2ccccc21
InChIInChI=1S/C18H20BrNO/c19-15-5-7-16(8-6-15)21-12-11-18(13-20)10-9-14-3-1-2-4-17(14)18/h1-8H,9-13,20H2
InChIKeyDIGLICYGOXWLSO-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.06
Rot. Bonds5

About [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine

[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine (PubChem CID 65407520) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
PubChem CID65407520
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine
SMILESNCC1(CCOc2ccc(Br)cc2)CCc2ccccc21
InChIInChI=1S/C18H20BrNO/c19-15-5-7-16(8-6-15)21-12-11-18(13-20)10-9-14-3-1-2-4-17(14)18/h1-8H,9-13,20H2
InChIKeyDIGLICYGOXWLSO-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(4-bromophenoxy)ethyl]cyclopentyl]methanamine
CID 55107164
[1-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 62724312
[1-(2-propylsulfonylethyl)-2,3-dihydroinden-1-yl]methanamine
CID 106734067
[1-[(3-bromo-4-fluorophenyl)methyl]-2,3-dihydroinden-1-yl]methanamine
CID 65407326
[3-[2-(4-bromophenoxy)ethyl]-2-methyloxolan-3-yl]methanamine
CID 114533972
[1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 112645153
[1-[2-(4-bromophenoxy)ethyl]-4-ethylcyclohexyl]methanamine
CID 65393492
[1-[2-(4-bromophenoxy)ethyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65423148
3-[2-(4-bromophenoxy)ethyl]-3-phenylazetidine
CID 79451771
[1-(oxan-4-ylmethyl)-2,3-dihydroinden-1-yl]methanamine
CID 65409445
[1-(phenylmethoxymethyl)-3,4-dihydro-2H-naphthalen-1-yl]methanamine
CID 102940470
[1-(3-phenoxypropyl)cyclopropyl]methanamine
CID 66026187

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine?
The IUPAC name of [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine (CID 65407520) is [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine.
What is the SMILES notation for [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine?
The canonical SMILES for [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine is NCC1(CCOc2ccc(Br)cc2)CCc2ccccc21.
What is the InChIKey of [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine?
The InChIKey is DIGLICYGOXWLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c19-15-5-7-16(8-6-15)21-12-11-18(13-20)10-9-14-3-1-2-4-17(14)18/h1-8H,9-13,20H2.
What are the key properties of [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine?
[1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine has a molecular weight of 346.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-bromophenoxy)ethyl]-2,3-dihydroinden-1-yl]methanamine is sourced from PubChem (CID 65407520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).