1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine

C12H15NO — CID 60889989

IUPAC1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine
SMILESC#CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C12H15NO/c1-4-7-14-12-6-5-9(2)8-11(12)10(3)13/h1,5-6,8,10H,7,13H2,2-3H3
InChIKeyQEVQUIUVAFAQTG-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.03
Rot. Bonds3

About 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine

1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine (PubChem CID 60889989) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine
PubChem CID60889989
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine
SMILESC#CCOc1ccc(C)cc1C(C)N
InChIInChI=1S/C12H15NO/c1-4-7-14-12-6-5-9(2)8-11(12)10(3)13/h1,5-6,8,10H,7,13H2,2-3H3
InChIKeyQEVQUIUVAFAQTG-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.03
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

(1R)-1-(2-but-2-ynoxy-5-methylphenyl)ethanamine
CID 63367180
(1S)-1-(2-but-2-ynoxy-5-methylphenyl)ethanamine
CID 78936543
1-(5-methyl-2-prop-2-ynoxyphenyl)propan-2-amine
CID 63326075
1-[2-(methoxymethoxy)-5-methylphenyl]ethanamine
CID 65365858
1-[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43505054
1-[5-methyl-2-(3-methylbutoxy)phenyl]ethanamine
CID 43504992
4-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]butanenitrile
CID 78936428
(1S)-1-[2-[(3,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanamine
CID 78936431
1-(4-methyl-2-prop-2-ynoxyphenyl)ethanol
CID 63650737
(1S)-1-[2-(3-fluoropropoxy)-5-methylphenyl]ethanamine
CID 81106656
(1S)-1-(5-methyl-2-pent-3-ynoxyphenyl)ethanamine
CID 104805203
(1R)-1-(2-butan-2-yloxy-5-methylphenyl)ethanamine
CID 63367361

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine?
The IUPAC name of 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine (CID 60889989) is 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine.
What is the SMILES notation for 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine?
The canonical SMILES for 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine is C#CCOc1ccc(C)cc1C(C)N.
What is the InChIKey of 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine?
The InChIKey is QEVQUIUVAFAQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-7-14-12-6-5-9(2)8-11(12)10(3)13/h1,5-6,8,10H,7,13H2,2-3H3.
What are the key properties of 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine?
1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine has a molecular weight of 189.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-prop-2-ynoxyphenyl)ethanamine is sourced from PubChem (CID 60889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).