4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

C16H23BrN2 — CID 103910257

IUPAC4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCCCN1CCCC1
InChIInChI=1S/C16H23BrN2/c17-15-6-3-5-14-13(15)7-8-16(14)18-9-4-12-19-10-1-2-11-19/h3,5-6,16,18H,1-2,4,7-12H2
InChIKeyMDEJPYQEEYRCOI-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.51
Rot. Bonds5

About 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine

4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 103910257) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID103910257
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC Name4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine
SMILESBrc1cccc2c1CCC2NCCCN1CCCC1
InChIInChI=1S/C16H23BrN2/c17-15-6-3-5-14-13(15)7-8-16(14)18-9-4-12-19-10-1-2-11-19/h3,5-6,16,18H,1-2,4,7-12H2
InChIKeyMDEJPYQEEYRCOI-UHFFFAOYSA-N
XLogP3.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103910659
4-bromo-N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 103846474
3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103846439
4-bromo-N-(5-methoxypentyl)-2,3-dihydro-1H-inden-1-amine
CID 113336458
4-bromo-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63272138
4-bromo-N-[2-(triazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113374920
(1R)-4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 97109946
8-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43768368
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
N-(3-piperidin-1-ylpropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115465990
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 83067155
(1S)-4,5-dimethoxy-N-(2-piperidin-1-ylethyl)-2,3-dihydro-1H-inden-1-amine
CID 124843881

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine (CID 103910257) is 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is Brc1cccc2c1CCC2NCCCN1CCCC1.
What is the InChIKey of 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is MDEJPYQEEYRCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c17-15-6-3-5-14-13(15)7-8-16(14)18-9-4-12-19-10-1-2-11-19/h3,5-6,16,18H,1-2,4,7-12H2.
What are the key properties of 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine?
4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 323.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103910257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).