1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

C14H20N2O — CID 65380972

IUPAC1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1cccc(OCCC)c1
InChIInChI=1S/C14H20N2O/c1-3-8-16-14(11-15)12-6-5-7-13(10-12)17-9-4-2/h1,5-7,10,14,16H,4,8-9,11,15H2,2H3
InChIKeyAHSRCUVQLFCXOZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.70
Rot. Bonds7

About 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine

1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (PubChem CID 65380972) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
PubChem CID65380972
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNC(CN)c1cccc(OCCC)c1
InChIInChI=1S/C14H20N2O/c1-3-8-16-14(11-15)12-6-5-7-13(10-12)17-9-4-2/h1,5-7,10,14,16H,4,8-9,11,15H2,2H3
InChIKeyAHSRCUVQLFCXOZ-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.70
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-(4-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380164
1-(3-methoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381566
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
1-(3-propoxyphenyl)prop-2-ynylhydrazine
CID 105315638
N-cyclohexyl-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65383679
N-(2-bromophenyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 65384260
2-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
[3-methyl-1-(3-propoxyphenyl)butyl]hydrazine
CID 105282817
3-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 65190715
2-(3-propoxyphenyl)-2-pyrrolidin-1-ylethanamine
CID 62497316

Frequently Asked Questions

What is the IUPAC name of 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine (CID 65380972) is 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is C#CCNC(CN)c1cccc(OCCC)c1.
What is the InChIKey of 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is AHSRCUVQLFCXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-8-16-14(11-15)12-6-5-7-13(10-12)17-9-4-2/h1,5-7,10,14,16H,4,8-9,11,15H2,2H3.
What are the key properties of 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine?
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 65380972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).