N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

C18H21FN2 — CID 105038338

IUPACN-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1ccncc1F
InChIInChI=1S/C18H21FN2/c1-2-9-21-18(16-8-10-20-12-17(16)19)15-7-6-13-4-3-5-14(13)11-15/h6-8,10-12,18,21H,2-5,9H2,1H3
InChIKeyJQHHMNOOENNPKA-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.80
Rot. Bonds5

About N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine

N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (PubChem CID 105038338) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
PubChem CID105038338
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2c(c1)CCC2)c1ccncc1F
InChIInChI=1S/C18H21FN2/c1-2-9-21-18(16-8-10-20-12-17(16)19)15-7-6-13-4-3-5-14(13)11-15/h6-8,10-12,18,21H,2-5,9H2,1H3
InChIKeyJQHHMNOOENNPKA-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105181955
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(2,5-dibromothiophen-3-yl)-(2,3-dihydro-1H-inden-5-yl)methyl]propan-1-amine
CID 43497873
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
N-[2,3-dihydro-1H-inden-5-yl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 61316328
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[(4-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 107995206
N-[(2-bromo-4-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038165

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine (CID 105038338) is N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is CCCNC(c1ccc2c(c1)CCC2)c1ccncc1F.
What is the InChIKey of N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
The InChIKey is JQHHMNOOENNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-9-21-18(16-8-10-20-12-17(16)19)15-7-6-13-4-3-5-14(13)11-15/h6-8,10-12,18,21H,2-5,9H2,1H3.
What are the key properties of N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine?
N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine has a molecular weight of 284.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydro-1H-inden-5-yl-(3-fluoro-4-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105038338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).