2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol

C15H21NO2 — CID 107149446

IUPAC2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1COCc2ccccc21
InChIInChI=1S/C15H21NO2/c17-15-7-3-5-11(15)8-16-14-10-18-9-12-4-1-2-6-13(12)14/h1-2,4,6,11,14-17H,3,5,7-10H2
InChIKeyXLBTZWICSPZDMD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.01
Rot. Bonds3

About 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol

2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol (PubChem CID 107149446) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
PubChem CID107149446
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1COCc2ccccc21
InChIInChI=1S/C15H21NO2/c17-15-7-3-5-11(15)8-16-14-10-18-9-12-4-1-2-6-13(12)14/h1-2,4,6,11,14-17H,3,5,7-10H2
InChIKeyXLBTZWICSPZDMD-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149291
3-(3,4-dihydro-1H-isochromen-4-ylamino)propanamide
CID 107148972
N-(2-cyclopropylethyl)-3,4-dihydro-1H-isochromen-4-amine
CID 107149440
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149292
N-cyclopropyl-2-(3,4-dihydro-1H-isochromen-4-ylamino)acetamide
CID 107148977
N-[(2-chlorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148772
4-(3,4-dihydro-1H-isochromen-4-ylamino)butanoic acid
CID 107149158
2-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylethanone
CID 107149625
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107148812
3-(3,4-dihydro-1H-isochromen-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 107149638
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
1-(3,4-dihydro-1H-isochromen-4-ylamino)-3-ethylpentan-2-ol
CID 106284691

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol (CID 107149446) is 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNC1COCc2ccccc21.
What is the InChIKey of 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is XLBTZWICSPZDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-15-7-3-5-11(15)8-16-14-10-18-9-12-4-1-2-6-13(12)14/h1-2,4,6,11,14-17H,3,5,7-10H2.
What are the key properties of 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol?
2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dihydro-1H-isochromen-4-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 107149446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).