2-methoxy-6-prop-1-ynylaniline

C10H11NO — CID 141410918

IUPAC2-methoxy-6-prop-1-ynylaniline
SMILESCC#Cc1cccc(OC)c1N
InChIInChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(12-2)10(8)11/h4,6-7H,11H2,1-2H3
InChIKeyFXYHGYVTYQXZJH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.65
Rot. Bonds1

About 2-methoxy-6-prop-1-ynylaniline

2-methoxy-6-prop-1-ynylaniline (PubChem CID 141410918) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methoxy-6-prop-1-ynylaniline.

Molecular Properties

Compound Name2-methoxy-6-prop-1-ynylaniline
PubChem CID141410918
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methoxy-6-prop-1-ynylaniline
SMILESCC#Cc1cccc(OC)c1N
InChIInChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(12-2)10(8)11/h4,6-7H,11H2,1-2H3
InChIKeyFXYHGYVTYQXZJH-UHFFFAOYSA-N
XLogP1.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoethynyl)-6-methoxyaniline
CID 143581965
2-bromo-1-methoxy-3-prop-1-ynylbenzene
CID 42611829
2,6-dimethoxyaniline;ethane
CID 145233133
1,2-bis[2-(2-methoxyphenyl)ethynyl]benzene
CID 11313747
2-methyl-1-(2-methyl-3-prop-1-ynylphenoxy)-3-prop-1-ynylbenzene
CID 156787019
2-amino-3-(2-methoxyphenoxy)benzonitrile
CID 104717142
2-[2-(2-methoxyphenyl)ethynyl]benzene-1,3-diamine
CID 102223785
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
2,6-dimethoxyaniline;2-isothiocyanato-1,3-dimethoxybenzene
CID 159333940
4-(2-methoxyphenyl)-2-methylbut-3-yn-2-amine
CID 63998901
2-amino-3-(3,5-dimethoxyphenoxy)benzonitrile
CID 104717214
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-prop-1-ynylaniline?
The IUPAC name of 2-methoxy-6-prop-1-ynylaniline (CID 141410918) is 2-methoxy-6-prop-1-ynylaniline.
What is the SMILES notation for 2-methoxy-6-prop-1-ynylaniline?
The canonical SMILES for 2-methoxy-6-prop-1-ynylaniline is CC#Cc1cccc(OC)c1N.
What is the InChIKey of 2-methoxy-6-prop-1-ynylaniline?
The InChIKey is FXYHGYVTYQXZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-5-8-6-4-7-9(12-2)10(8)11/h4,6-7H,11H2,1-2H3.
What are the key properties of 2-methoxy-6-prop-1-ynylaniline?
2-methoxy-6-prop-1-ynylaniline has a molecular weight of 161.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-prop-1-ynylaniline is sourced from PubChem (CID 141410918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).