[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine

C16H17BrN2 — CID 104812971

IUPAC[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cn2)Cc2ccccc2C1
InChIInChI=1S/C16H17BrN2/c17-14-5-6-15(19-10-14)9-16(11-18)7-12-3-1-2-4-13(12)8-16/h1-6,10H,7-9,11,18H2
InChIKeyMFTQINGEKPFOGG-UHFFFAOYSA-N
MW317.23 g/mol
LogP3.13
Rot. Bonds3

About [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine

[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine (PubChem CID 104812971) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine
PubChem CID104812971
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine
SMILESNCC1(Cc2ccc(Br)cn2)Cc2ccccc2C1
InChIInChI=1S/C16H17BrN2/c17-14-5-6-15(19-10-14)9-16(11-18)7-12-3-1-2-4-13(12)8-16/h1-6,10H,7-9,11,18H2
InChIKeyMFTQINGEKPFOGG-UHFFFAOYSA-N
XLogP3.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroindene-2-carbonitrile
CID 104812928
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
[2-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,3-dihydroinden-2-yl]methanamine
CID 65408274
[4-[(5-bromo-2-pyridinyl)methyl]oxan-4-yl]methanol
CID 104813123
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
[3-[(5-bromo-2-pyridinyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 104810974
6-bromo-2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 104801675
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-[(5-bromo-2-pyridinyl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 104802982
1-[(5-bromo-2-pyridinyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104802926
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 104800894

Frequently Asked Questions

What is the IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The IUPAC name of [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine (CID 104812971) is [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine.
What is the SMILES notation for [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The canonical SMILES for [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine is NCC1(Cc2ccc(Br)cn2)Cc2ccccc2C1.
What is the InChIKey of [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine?
The InChIKey is MFTQINGEKPFOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c17-14-5-6-15(19-10-14)9-16(11-18)7-12-3-1-2-4-13(12)8-16/h1-6,10H,7-9,11,18H2.
What are the key properties of [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine?
[2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine has a molecular weight of 317.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-bromo-2-pyridinyl)methyl]-1,3-dihydroinden-2-yl]methanamine is sourced from PubChem (CID 104812971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).