N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine

C19H18F3N — CID 89492547

IUPACN-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)c1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2
InChIInChI=1S/C19H18F3N/c20-19(21,22)14-8-6-13-7-9-17(15(13)10-14)23-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,23H,7,9,11H2/t16?,17?,18-/m0/s1
InChIKeyISBBCWJDLSIJAX-ABHNRTSZSA-N
MW317.35 g/mol
LogP4.84
Rot. Bonds3

About N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine

N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 89492547) has the molecular formula C19H18F3N and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID89492547
Molecular FormulaC19H18F3N
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFC(F)(F)c1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2
InChIInChI=1S/C19H18F3N/c20-19(21,22)14-8-6-13-7-9-17(15(13)10-14)23-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,23H,7,9,11H2/t16?,17?,18-/m0/s1
InChIKeyISBBCWJDLSIJAX-ABHNRTSZSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine (CID 89492547) is N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine is FC(F)(F)c1ccc2c(c1)C(N[C@H]1CC1c1ccccc1)CC2.
What is the InChIKey of N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is ISBBCWJDLSIJAX-ABHNRTSZSA-N. The full InChI is InChI=1S/C19H18F3N/c20-19(21,22)14-8-6-13-7-9-17(15(13)10-14)23-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,23H,7,9,11H2/t16?,17?,18-/m0/s1.
What are the key properties of N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine?
N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 317.35 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-phenylcyclopropyl]-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 89492547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).