1-[3-(methoxymethyl)phenyl]ethanamine

C10H15NO — CID 84652207

IUPAC1-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(C)N)c1
InChIInChI=1S/C10H15NO/c1-8(11)10-5-3-4-9(6-10)7-12-2/h3-6,8H,7,11H2,1-2H3
InChIKeyRZXVUMPTVKMQTF-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.85
Rot. Bonds3

About 1-[3-(methoxymethyl)phenyl]ethanamine

1-[3-(methoxymethyl)phenyl]ethanamine (PubChem CID 84652207) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(methoxymethyl)phenyl]ethanamine
PubChem CID84652207
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(C)N)c1
InChIInChI=1S/C10H15NO/c1-8(11)10-5-3-4-9(6-10)7-12-2/h3-6,8H,7,11H2,1-2H3
InChIKeyRZXVUMPTVKMQTF-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
Phenethylamine, beta-methoxy-, hydrochloride
CID 3046412
2-Methoxy-2-phenylethan-1-amine
CID 409782
[2,6-Bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
1-Benzyloxyhexadecan-2-amine
CID 24936444
(S)-2-(3,5-Dimethyl-benzyloxy)-1-phenyl-ethylamine
CID 44308930
(1R)-2-Methoxy-1-phenylethan-1-amine
CID 11019045
(3-(Methoxymethyl)phenyl)methanamine
CID 16787292
[3-(Aminomethyl)phenyl]methanol
CID 21880609
2-Methoxy-1-phenylethan-1-amine
CID 11105539
1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 1-[3-(methoxymethyl)phenyl]ethanamine (CID 84652207) is 1-[3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 1-[3-(methoxymethyl)phenyl]ethanamine is COCc1cccc(C(C)N)c1.
What is the InChIKey of 1-[3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is RZXVUMPTVKMQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8(11)10-5-3-4-9(6-10)7-12-2/h3-6,8H,7,11H2,1-2H3.
What are the key properties of 1-[3-(methoxymethyl)phenyl]ethanamine?
1-[3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 165.24 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 84652207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).