2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol

C13H19NO2 — CID 96659085

IUPAC2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
SMILESOCCNCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c15-8-7-14-6-5-11-3-4-13-12(10-11)2-1-9-16-13/h3-4,10,14-15H,1-2,5-9H2
InChIKeyBZDNRRCJZDMXTD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.14
Rot. Bonds5

About 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol

2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol (PubChem CID 96659085) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
PubChem CID96659085
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
SMILESOCCNCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c15-8-7-14-6-5-11-3-4-13-12(10-11)2-1-9-16-13/h3-4,10,14-15H,1-2,5-9H2
InChIKeyBZDNRRCJZDMXTD-UHFFFAOYSA-N
XLogP1.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]ethyl carbamate
CID 83210158
6-(3,4-dihydro-2H-chromen-6-yl)-N-ethylhexan-1-amine
CID 65306061
N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305123
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4,4-dimethylpentan-1-ol
CID 106147353
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 106813163
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]butan-1-amine
CID 65446335

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol?
The IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol (CID 96659085) is 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol is OCCNCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol?
The InChIKey is BZDNRRCJZDMXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-8-7-14-6-5-11-3-4-13-12(10-11)2-1-9-16-13/h3-4,10,14-15H,1-2,5-9H2.
What are the key properties of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol?
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol is sourced from PubChem (CID 96659085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).