N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

C17H18FN — CID 78948023

IUPACN-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccccc1F)CC2
InChIInChI=1S/C17H18FN/c1-12-6-7-13-8-9-17(15(13)10-12)19-11-14-4-2-3-5-16(14)18/h2-7,10,17,19H,8-9,11H2,1H3
InChIKeyATPKYYIHWMNNFN-UHFFFAOYSA-N
MW255.34 g/mol
LogP3.91
Rot. Bonds3

About N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine

N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 78948023) has the molecular formula C17H18FN and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID78948023
Molecular FormulaC17H18FN
Molecular Weight255.34 g/mol
Exact Mass255.14
IUPAC NameN-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCc1ccc2c(c1)C(NCc1ccccc1F)CC2
InChIInChI=1S/C17H18FN/c1-12-6-7-13-8-9-17(15(13)10-12)19-11-14-4-2-3-5-16(14)18/h2-7,10,17,19H,8-9,11H2,1H3
InChIKeyATPKYYIHWMNNFN-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 81333353
N-[(5-chlorothiophen-2-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78948024
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 112705320
[3-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781821
N-[1-(2,6-difluorophenyl)ethyl]-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 78956223
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
(1S)-N-(2-methoxyethyl)-6-methyl-2,3-dihydro-1H-inden-1-amine
CID 97357930
6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948041
6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 78948037
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181872
4-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840528
1,1,1-trifluoro-3-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260462

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 78948023) is N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is Cc1ccc2c(c1)C(NCc1ccccc1F)CC2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ATPKYYIHWMNNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN/c1-12-6-7-13-8-9-17(15(13)10-12)19-11-14-4-2-3-5-16(14)18/h2-7,10,17,19H,8-9,11H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine?
N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.34 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 78948023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).