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

C19H22FN — CID 63428027

IUPACN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22FN/c1-13(2)21-12-14-6-9-19(20)18(10-14)17-8-7-15-4-3-5-16(15)11-17/h6-11,13,21H,3-5,12H2,1-2H3
InChIKeyPZUXPKGQHMVDRE-UHFFFAOYSA-N
MW283.39 g/mol
LogP4.48
Rot. Bonds4

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

N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine (PubChem CID 63428027) has the molecular formula C19H22FN and a molecular weight of 283.39 g/mol. Its IUPAC name is N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
PubChem CID63428027
Molecular FormulaC19H22FN
Molecular Weight283.39 g/mol
Exact Mass283.17
IUPAC NameN-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22FN/c1-13(2)21-12-14-6-9-19(20)18(10-14)17-8-7-15-4-3-5-16(15)11-17/h6-11,13,21H,3-5,12H2,1-2H3
InChIKeyPZUXPKGQHMVDRE-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
N-[[4-(2,3-dihydro-1H-inden-5-yl)-3-methylphenyl]methyl]propan-2-amine
CID 66481639
N-[[4-fluoro-3-(4-propan-2-ylphenyl)phenyl]methyl]propan-2-amine
CID 63424500
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035
N-[[3-(2,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61033377
N-[[4-(2-fluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911501
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[[3-(2,4-dichlorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 63428074
N-[[3-(2,3-dihydro-1-benzofuran-7-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 114746537
N-(3,4-dihydro-1H-isochromen-7-ylmethyl)propan-2-amine
CID 59487278
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine (CID 63428027) is N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine is CC(C)NCc1ccc(F)c(-c2ccc3c(c2)CCC3)c1.
What is the InChIKey of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine?
The InChIKey is PZUXPKGQHMVDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN/c1-13(2)21-12-14-6-9-19(20)18(10-14)17-8-7-15-4-3-5-16(15)11-17/h6-11,13,21H,3-5,12H2,1-2H3.
What are the key properties of N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine?
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine has a molecular weight of 283.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]propan-2-amine is sourced from PubChem (CID 63428027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).