(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine

C22H25N3O — CID 97229394

IUPAC(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H25N3O/c1-16(24-21-12-9-18-5-3-4-6-20(18)21)17-7-10-19(11-8-17)26-15-22-23-13-14-25(22)2/h3-8,10-11,13-14,16,21,24H,9,12,15H2,1-2H3/t16-,21-/m0/s1
InChIKeyGFRDZYHAKFQRGS-KKSFZXQISA-N
MW347.46 g/mol
LogP4.34
Rot. Bonds6

About (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine

(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 97229394) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID97229394
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C22H25N3O/c1-16(24-21-12-9-18-5-3-4-6-20(18)21)17-7-10-19(11-8-17)26-15-22-23-13-14-25(22)2/h3-8,10-11,13-14,16,21,24H,9,12,15H2,1-2H3/t16-,21-/m0/s1
InChIKeyGFRDZYHAKFQRGS-KKSFZXQISA-N
XLogP4.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine (CID 97229394) is (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine is C[C@H](N[C@H]1CCc2ccccc21)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GFRDZYHAKFQRGS-KKSFZXQISA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(24-21-12-9-18-5-3-4-6-20(18)21)17-7-10-19(11-8-17)26-15-22-23-13-14-25(22)2/h3-8,10-11,13-14,16,21,24H,9,12,15H2,1-2H3/t16-,21-/m0/s1.
What are the key properties of (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 347.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97229394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).