1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

C13H18N2O — CID 65381167

IUPAC1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccccc1OCC
InChIInChI=1S/C13H18N2O/c1-3-9-15-12(10-14)11-7-5-6-8-13(11)16-4-2/h1,5-8,12,15H,4,9-10,14H2,2H3
InChIKeyZSWRZCPZMHKNQI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.31
Rot. Bonds6

About 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 65381167) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID65381167
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1ccccc1OCC
InChIInChI=1S/C13H18N2O/c1-3-9-15-12(10-14)11-7-5-6-8-13(11)16-4-2/h1,5-8,12,15H,4,9-10,14H2,2H3
InChIKeyZSWRZCPZMHKNQI-UHFFFAOYSA-N
XLogP1.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380773
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
1-[2-(difluoromethoxy)phenyl]-N-ethylethane-1,2-diamine
CID 62066384
1-[bis(2-ethoxyphenyl)methyl]-2-ethoxybenzene
CID 173071394
N-[1-(2-ethoxyphenyl)ethyl]but-3-yn-2-amine
CID 114414920
1-(2-ethoxyphenyl)hex-4-ynylhydrazine
CID 105260784
N-[1-(2-ethoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226015
1-(2-methoxyphenyl)-N-(3-methyl-2-propan-2-ylbutyl)ethane-1,2-diamine
CID 102912491
1-(2-ethoxyphenyl)-N-ethyl-2-propan-2-ylsulfanylethanamine
CID 64632455
1-(2-ethoxyphenyl)-N-propylpentan-1-amine
CID 79411524

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 65381167) is 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1ccccc1OCC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is ZSWRZCPZMHKNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-15-12(10-14)11-7-5-6-8-13(11)16-4-2/h1,5-8,12,15H,4,9-10,14H2,2H3.
What are the key properties of 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 65381167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).