(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine

C14H20N2O — CID 115302560

IUPAC(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC2OCCc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c15-12-5-7-16(9-12)10-14-13-4-2-1-3-11(13)6-8-17-14/h1-4,12,14H,5-10,15H2/t12-,14?/m0/s1
InChIKeyKHMYBVCCCPBQFQ-NBFOIZRFSA-N
MW232.33 g/mol
LogP1.33
Rot. Bonds2

About (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine

(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine (PubChem CID 115302560) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
PubChem CID115302560
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(CC2OCCc3ccccc32)C1
InChIInChI=1S/C14H20N2O/c15-12-5-7-16(9-12)10-14-13-4-2-1-3-11(13)6-8-17-14/h1-4,12,14H,5-10,15H2/t12-,14?/m0/s1
InChIKeyKHMYBVCCCPBQFQ-NBFOIZRFSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-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

Related Compounds

2-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-yl]ethanol
CID 115648056
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methylpiperidin-4-ol
CID 114502722
3-(bromomethyl)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidine
CID 80679410
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-ethylpiperidin-4-ol
CID 114511190
1-[(3S)-3-aminopyrrolidin-1-yl]-2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]ethanone
CID 124574483
1-(4-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isochromen-1-yl)ethanone
CID 119376371
5-cyclopropyl-3-[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 71928571
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-propan-2-yl-1,4-diazepane
CID 64857061
[1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-methylpiperazin-2-yl]methanamine
CID 80506165
2-(bromomethyl)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidine
CID 80668981
1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-phenylpiperidine
CID 23210055
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine (CID 115302560) is (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine is N[C@H]1CCN(CC2OCCc3ccccc32)C1.
What is the InChIKey of (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine?
The InChIKey is KHMYBVCCCPBQFQ-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H20N2O/c15-12-5-7-16(9-12)10-14-13-4-2-1-3-11(13)6-8-17-14/h1-4,12,14H,5-10,15H2/t12-,14?/m0/s1.
What are the key properties of (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine?
(3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine has a molecular weight of 232.33 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3,4-dihydro-1H-isochromen-1-ylmethyl)pyrrolidin-3-amine is sourced from PubChem (CID 115302560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).