2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine

C13H19NO2 — CID 65305296

IUPAC2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
SMILESNCCOCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c14-6-9-15-8-5-11-3-4-13-12(10-11)2-1-7-16-13/h3-4,10H,1-2,5-9,14H2
InChIKeyBVDYLDRHJQKDOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.53
Rot. Bonds5

About 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine

2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine (PubChem CID 65305296) 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)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
PubChem CID65305296
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine
SMILESNCCOCCc1ccc2c(c1)CCCO2
InChIInChI=1S/C13H19NO2/c14-6-9-15-8-5-11-3-4-13-12(10-11)2-1-7-16-13/h3-4,10H,1-2,5-9,14H2
InChIKeyBVDYLDRHJQKDOT-UHFFFAOYSA-N
XLogP1.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305123
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
CID 65444502
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
6-(methoxymethyl)-3,4-dihydro-2H-chromene
CID 116932250
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
2-(3,4-dihydro-2H-chromen-6-yl)-N-(hydrazinylmethyl)ethanamine
CID 115261148
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
2-[4-(3,4-dihydro-2H-chromen-6-ylmethyl)piperazin-1-yl]ethanamine
CID 98019620
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine (CID 65305296) is 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine is NCCOCCc1ccc2c(c1)CCCO2.
What is the InChIKey of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine?
The InChIKey is BVDYLDRHJQKDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-6-9-15-8-5-11-3-4-13-12(10-11)2-1-7-16-13/h3-4,10H,1-2,5-9,14H2.
What are the key properties of 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine?
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethoxy]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 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)ethoxy]ethanamine is sourced from PubChem (CID 65305296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).