2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine

C18H21BrN2 — CID 104799962

IUPAC2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Cc1cncc(Br)c1
InChIInChI=1S/C18H21BrN2/c1-2-7-21-18-15(8-13-9-16(19)12-20-11-13)10-14-5-3-4-6-17(14)18/h3-6,9,11-12,15,18,21H,2,7-8,10H2,1H3
InChIKeyBGBNFCUAPPFUFX-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.30
Rot. Bonds5

About 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine

2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 104799962) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID104799962
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1Cc1cncc(Br)c1
InChIInChI=1S/C18H21BrN2/c1-2-7-21-18-15(8-13-9-16(19)12-20-11-13)10-14-5-3-4-6-17(14)18/h3-6,9,11-12,15,18,21H,2,7-8,10H2,1H3
InChIKeyBGBNFCUAPPFUFX-UHFFFAOYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 104799962) is 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BGBNFCUAPPFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-2-7-21-18-15(8-13-9-16(19)12-20-11-13)10-14-5-3-4-6-17(14)18/h3-6,9,11-12,15,18,21H,2,7-8,10H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 345.28 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl]-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104799962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).