[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane

C14H22BrNO — CID 142460110

IUPAC[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane
SMILESCC.CN(C)C1(CO)CCc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO.C2H6/c1-14(2)12(8-15)6-5-9-7-10(13)3-4-11(9)12;1-2/h3-4,7,15H,5-6,8H2,1-2H3;1-2H3
InChIKeyLWAGOEPXTHFASO-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.17
Rot. Bonds2

About [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane

[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane (PubChem CID 142460110) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane.

Molecular Properties

Compound Name[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane
PubChem CID142460110
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane
SMILESCC.CN(C)C1(CO)CCc2cc(Br)ccc21
InChIInChI=1S/C12H16BrNO.C2H6/c1-14(2)12(8-15)6-5-9-7-10(13)3-4-11(9)12;1-2/h3-4,7,15H,5-6,8H2,1-2H3;1-2H3
InChIKeyLWAGOEPXTHFASO-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
[(1'S,3S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methanol
CID 124572310
7-bromo-3,3,4,4-tetramethyl-1,2-dihydronaphthalene
CID 175335793
2-[6-bromo-2-(dimethylamino)-3,4-dihydro-1H-naphthalen-2-yl]acetic acid
CID 64527960
6-bromo-1-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 84729994
(1S)-1-amino-5-bromo-2,3-dihydroindene-1-carboxylic acid
CID 118956982
5-bromo-1-[bromo(difluoro)methyl]-2,3-dihydroinden-1-ol
CID 107140447
(1'R,3R)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 124572230
(1'S)-6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 129284661
1-(aminomethyl)-6-bromo-3,4-dihydro-2H-naphthalen-1-ol
CID 83913110
7-bromo-4-methoxy-4-methyl-2,3-dihydro-1H-naphthalene
CID 118326661
6-bromo-2'-propan-2-ylspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 167091801

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane?
The IUPAC name of [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane (CID 142460110) is [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane.
What is the SMILES notation for [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane?
The canonical SMILES for [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane is CC.CN(C)C1(CO)CCc2cc(Br)ccc21.
What is the InChIKey of [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane?
The InChIKey is LWAGOEPXTHFASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO.C2H6/c1-14(2)12(8-15)6-5-9-7-10(13)3-4-11(9)12;1-2/h3-4,7,15H,5-6,8H2,1-2H3;1-2H3.
What are the key properties of [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane?
[5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane has a molecular weight of 300.24 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(dimethylamino)-2,3-dihydroinden-1-yl]methanol;ethane is sourced from PubChem (CID 142460110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).