(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine

C18H21N — CID 101018229

IUPAC(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-2-12-19-18-13-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17-19H,2,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyYEFJNBVLIOURIQ-ROUUACIJSA-N
MW251.37 g/mol
LogP4.26
Rot. Bonds4

About (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine

(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 101018229) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID101018229
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C18H21N/c1-2-12-19-18-13-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17-19H,2,12-13H2,1H3/t17-,18-/m0/s1
InChIKeyYEFJNBVLIOURIQ-ROUUACIJSA-N
XLogP4.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 101018229) is (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCN[C@H]1C[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YEFJNBVLIOURIQ-ROUUACIJSA-N. The full InChI is InChI=1S/C18H21N/c1-2-12-19-18-13-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17-19H,2,12-13H2,1H3/t17-,18-/m0/s1.
What are the key properties of (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine?
(1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 251.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-phenyl-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 101018229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).