5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C17H23BrN2 — CID 106598980

IUPAC5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc2c(c1)CCC2N(CC1CCCN1)C1CC1
InChIInChI=1S/C17H23BrN2/c18-13-4-7-16-12(10-13)3-8-17(16)20(15-5-6-15)11-14-2-1-9-19-14/h4,7,10,14-15,17,19H,1-3,5-6,8-9,11H2
InChIKeyIUFMDFKTFLQPDQ-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.65
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine

5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106598980) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID106598980
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC Name5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1ccc2c(c1)CCC2N(CC1CCCN1)C1CC1
InChIInChI=1S/C17H23BrN2/c18-13-4-7-16-12(10-13)3-8-17(16)20(15-5-6-15)11-14-2-1-9-19-14/h4,7,10,14-15,17,19H,1-3,5-6,8-9,11H2
InChIKeyIUFMDFKTFLQPDQ-UHFFFAOYSA-N
XLogP3.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106624406
5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 22349548
(1S)-5-bromo-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 167334523
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106621816
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
CID 106598991
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
3-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630030
1-(4-bromo-2-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604340
7-bromo-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
CID 67193567
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
4-bromo-2-[[propyl(pyrrolidin-2-ylmethyl)amino]methyl]phenol
CID 107739200

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 106598980) is 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Brc1ccc2c(c1)CCC2N(CC1CCCN1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is IUFMDFKTFLQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c18-13-4-7-16-12(10-13)3-8-17(16)20(15-5-6-15)11-14-2-1-9-19-14/h4,7,10,14-15,17,19H,1-3,5-6,8-9,11H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 335.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106598980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).