3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine

C14H20N2O — CID 105491692

IUPAC3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
SMILESNc1cccc2c1CC(CN1CCCC1)CO2
InChIInChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2
InChIKeyCUBMXVZNGXSFGK-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds2

About 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine

3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine (PubChem CID 105491692) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine.

Molecular Properties

Compound Name3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
PubChem CID105491692
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine
SMILESNc1cccc2c1CC(CN1CCCC1)CO2
InChIInChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2
InChIKeyCUBMXVZNGXSFGK-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-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

1-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-amine
CID 105470445
2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-4-ol
CID 105471672
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine
CID 6040
3-(azepan-1-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 82188018
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559215
1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidine;hydrochloride
CID 15559214
2-[4-(oxetan-3-ylmethyl)piperazin-1-yl]aniline
CID 118979228
4-benzyl-1-(3,4-dihydro-2H-chromen-3-ylmethyl)piperidine;hydrochloride
CID 11152526
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]aniline
CID 63010141
2-[4-(cyclohexylmethyl)piperazin-1-yl]aniline
CID 28800779
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-(2-methoxyphenyl)piperazine
CID 3068805
1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-3-yl)phenyl]methyl]pyrrolidine
CID 129107625

Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The IUPAC name of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine (CID 105491692) is 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine.
What is the SMILES notation for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The canonical SMILES for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine is Nc1cccc2c1CC(CN1CCCC1)CO2.
What is the InChIKey of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
The InChIKey is CUBMXVZNGXSFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-13-4-3-5-14-12(13)8-11(10-17-14)9-16-6-1-2-7-16/h3-5,11H,1-2,6-10,15H2.
What are the key properties of 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine?
3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine has a molecular weight of 232.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-chromen-5-amine is sourced from PubChem (CID 105491692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).