(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride

C15H20BrClN2O — CID 119324743

IUPAC(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCc3ccc(Br)cc32)CCCCC1
InChIInChI=1S/C15H19BrN2O.ClH/c16-12-5-4-11-6-9-18(13(11)10-12)14(19)15(17)7-2-1-3-8-15;/h4-5,10H,1-3,6-9,17H2;1H
InChIKeyXEBQNOGNIGIJAB-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.42
Rot. Bonds1

About (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride

(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride (PubChem CID 119324743) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
PubChem CID119324743
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride
SMILESCl.NC1(C(=O)N2CCc3ccc(Br)cc32)CCCCC1
InChIInChI=1S/C15H19BrN2O.ClH/c16-12-5-4-11-6-9-18(13(11)10-12)14(19)15(17)7-2-1-3-8-15;/h4-5,10H,1-3,6-9,17H2;1H
InChIKeyXEBQNOGNIGIJAB-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
6-bromo-2,3-dihydroindole-1-carboxylic acid
CID 118865239
(1-aminocyclobutyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81179499
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
(4-aminooxan-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 113280547
(6-bromo-2,3-dihydroindol-1-yl)-piperidin-2-ylmethanone
CID 119324720
8-bromo-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 91252652
1-(6-bromo-2,3-dihydroindol-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119785525
(1-aminocyclobutyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81178918
6-bromo-2,3-dihydroindol-1-amine
CID 22612697

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The IUPAC name of (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride (CID 119324743) is (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride.
What is the SMILES notation for (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The canonical SMILES for (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride is Cl.NC1(C(=O)N2CCc3ccc(Br)cc32)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride?
The InChIKey is XEBQNOGNIGIJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O.ClH/c16-12-5-4-11-6-9-18(13(11)10-12)14(19)15(17)7-2-1-3-8-15;/h4-5,10H,1-3,6-9,17H2;1H.
What are the key properties of (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride?
(1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride has a molecular weight of 359.70 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(6-bromo-2,3-dihydroindol-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119324743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).