(2-ethynyl-5-methoxyphenyl)methanamine

C10H11NO — CID 130535133

IUPAC(2-ethynyl-5-methoxyphenyl)methanamine
SMILESC#Cc1ccc(OC)cc1CN
InChIInChI=1S/C10H11NO/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6H,7,11H2,2H3
InChIKeyDAFZDGWJWBQDGM-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.14
Rot. Bonds2

About (2-ethynyl-5-methoxyphenyl)methanamine

(2-ethynyl-5-methoxyphenyl)methanamine (PubChem CID 130535133) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is (2-ethynyl-5-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-ethynyl-5-methoxyphenyl)methanamine
PubChem CID130535133
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name(2-ethynyl-5-methoxyphenyl)methanamine
SMILESC#Cc1ccc(OC)cc1CN
InChIInChI=1S/C10H11NO/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6H,7,11H2,2H3
InChIKeyDAFZDGWJWBQDGM-UHFFFAOYSA-N
XLogP1.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-4-methoxybenzonitrile
CID 22464511
4-(2-ethynyl-5-methoxyphenyl)-2-methylidenebutan-1-ol
CID 102409662
2-ethynyl-5-methoxybenzonitrile
CID 166529929
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
carbon monoxide;cobalt;[4-(2-ethynyl-5-methoxyphenyl)-2-methylidenebutyl] acetate
CID 24898214
(2-chloro-4-methoxyphenyl)methanamine
CID 22467642
CID 155696635
CID 155696635
2-(aminomethyl)-5-methoxyphenol;ethane
CID 154662698
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
2-(cyclopropylmethoxy)-1-ethynyl-4-methoxybenzene
CID 155907424
4-(aminomethyl)-6-methoxy-1H-quinolin-2-one
CID 82506632

Frequently Asked Questions

What is the IUPAC name of (2-ethynyl-5-methoxyphenyl)methanamine?
The IUPAC name of (2-ethynyl-5-methoxyphenyl)methanamine (CID 130535133) is (2-ethynyl-5-methoxyphenyl)methanamine.
What is the SMILES notation for (2-ethynyl-5-methoxyphenyl)methanamine?
The canonical SMILES for (2-ethynyl-5-methoxyphenyl)methanamine is C#Cc1ccc(OC)cc1CN.
What is the InChIKey of (2-ethynyl-5-methoxyphenyl)methanamine?
The InChIKey is DAFZDGWJWBQDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-3-8-4-5-10(12-2)6-9(8)7-11/h1,4-6H,7,11H2,2H3.
What are the key properties of (2-ethynyl-5-methoxyphenyl)methanamine?
(2-ethynyl-5-methoxyphenyl)methanamine has a molecular weight of 161.20 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynyl-5-methoxyphenyl)methanamine is sourced from PubChem (CID 130535133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).