[3-(3-methoxypropoxy)-4-methylphenyl]methanamine

C12H19NO2 — CID 107655823

IUPAC[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
SMILESCOCCCOc1cc(CN)ccc1C
InChIInChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-6-14-2/h4-5,8H,3,6-7,9,13H2,1-2H3
InChIKeyNCTQNPQJMYVUNC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.87
Rot. Bonds6

About [3-(3-methoxypropoxy)-4-methylphenyl]methanamine

[3-(3-methoxypropoxy)-4-methylphenyl]methanamine (PubChem CID 107655823) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is [3-(3-methoxypropoxy)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
PubChem CID107655823
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
SMILESCOCCCOc1cc(CN)ccc1C
InChIInChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-6-14-2/h4-5,8H,3,6-7,9,13H2,1-2H3
InChIKeyNCTQNPQJMYVUNC-UHFFFAOYSA-N
XLogP1.87
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
methyl 3-[5-(aminomethyl)-2-methylphenoxy]propanoate
CID 107655871
[3-(3-methoxypropoxy)-4-nitrophenyl]methanamine
CID 62116550
4-iodo-2-(3-methoxypropoxy)-1-methylbenzene
CID 143499905
[3-(2-methoxyethoxy)-4-methylphenyl]methanol
CID 118408450
[4-methyl-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanamine
CID 107655968
[3-methoxy-4-(2-methoxyethoxy)phenyl]methanamine;hydrochloride
CID 43810786
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methanamine
CID 22681699
[4-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methanamine
CID 20988768

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypropoxy)-4-methylphenyl]methanamine?
The IUPAC name of [3-(3-methoxypropoxy)-4-methylphenyl]methanamine (CID 107655823) is [3-(3-methoxypropoxy)-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(3-methoxypropoxy)-4-methylphenyl]methanamine?
The canonical SMILES for [3-(3-methoxypropoxy)-4-methylphenyl]methanamine is COCCCOc1cc(CN)ccc1C.
What is the InChIKey of [3-(3-methoxypropoxy)-4-methylphenyl]methanamine?
The InChIKey is NCTQNPQJMYVUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-4-5-11(9-13)8-12(10)15-7-3-6-14-2/h4-5,8H,3,6-7,9,13H2,1-2H3.
What are the key properties of [3-(3-methoxypropoxy)-4-methylphenyl]methanamine?
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypropoxy)-4-methylphenyl]methanamine is sourced from PubChem (CID 107655823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).