(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine

C19H22N2O — CID 135097042

IUPAC(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
SMILESc1ccc2c(c1)CC(N[C@@H]1COC[C@H]1Cc1ccncc1)C2
InChIInChI=1S/C19H22N2O/c1-2-4-16-11-18(10-15(16)3-1)21-19-13-22-12-17(19)9-14-5-7-20-8-6-14/h1-8,17-19,21H,9-13H2/t17-,19-/m1/s1
InChIKeyYOCRITBURWRTQY-IEBWSBKVSA-N
MW294.40 g/mol
LogP2.40
Rot. Bonds4

About (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine

(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine (PubChem CID 135097042) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
PubChem CID135097042
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
SMILESc1ccc2c(c1)CC(N[C@@H]1COC[C@H]1Cc1ccncc1)C2
InChIInChI=1S/C19H22N2O/c1-2-4-16-11-18(10-15(16)3-1)21-19-13-22-12-17(19)9-14-5-7-20-8-6-14/h1-8,17-19,21H,9-13H2/t17-,19-/m1/s1
InChIKeyYOCRITBURWRTQY-IEBWSBKVSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine?
The IUPAC name of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine (CID 135097042) is (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine is c1ccc2c(c1)CC(N[C@@H]1COC[C@H]1Cc1ccncc1)C2.
What is the InChIKey of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine?
The InChIKey is YOCRITBURWRTQY-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-4-16-11-18(10-15(16)3-1)21-19-13-22-12-17(19)9-14-5-7-20-8-6-14/h1-8,17-19,21H,9-13H2/t17-,19-/m1/s1.
What are the key properties of (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine?
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine has a molecular weight of 294.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 135097042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).