[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride

C16H21ClN2O3 — CID 119483721

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)N1CCC(CN)C1)=C2.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-20-14-4-2-3-12-7-13(10-21-15(12)14)16(19)18-6-5-11(8-17)9-18;/h2-4,7,11H,5-6,8-10,17H2,1H3;1H
InChIKeyUETJXSSHZSALCH-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.70
Rot. Bonds3

About [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride

[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride (PubChem CID 119483721) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
PubChem CID119483721
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)N1CCC(CN)C1)=C2.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-20-14-4-2-3-12-7-13(10-21-15(12)14)16(19)18-6-5-11(8-17)9-18;/h2-4,7,11H,5-6,8-10,17H2,1H3;1H
InChIKeyUETJXSSHZSALCH-UHFFFAOYSA-N
XLogP1.70
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride 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

(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
(8-methoxy-2H-chromen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95308857
(2S)-1-(8-methoxy-2H-chromene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365618
1-[2-[(8-methoxy-2H-chromene-3-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 119235627
[3-(aminomethyl)pyrrolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 62069454
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119485177
N-(1-amino-2-cyclopropylpropan-2-yl)-8-methoxy-2H-chromene-3-carboxamide
CID 119572685
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methoxythiophen-2-yl)methanone;hydrochloride
CID 119484103
N-(3-aminobutyl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119495370
N-[3-(aminomethyl)pentan-3-yl]-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
CID 119569054
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride (CID 119483721) is [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride is COc1cccc2c1OCC(C(=O)N1CCC(CN)C1)=C2.Cl.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
The InChIKey is UETJXSSHZSALCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c1-20-14-4-2-3-12-7-13(10-21-15(12)14)16(19)18-6-5-11(8-17)9-18;/h2-4,7,11H,5-6,8-10,17H2,1H3;1H.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride?
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride is sourced from PubChem (CID 119483721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).