[4-(methoxymethyl)phenyl]methanamine;dihydrochloride

C9H15Cl2NO — CID 133054354

IUPAC[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
SMILESCOCc1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H13NO.2ClH/c1-11-7-9-4-2-8(6-10)3-5-9;;/h2-5H,6-7,10H2,1H3;2*1H
InChIKeyZBQLYGVKVUFHTD-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.14
Rot. Bonds3

About [4-(methoxymethyl)phenyl]methanamine;dihydrochloride

[4-(methoxymethyl)phenyl]methanamine;dihydrochloride (PubChem CID 133054354) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
PubChem CID133054354
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name[4-(methoxymethyl)phenyl]methanamine;dihydrochloride
SMILESCOCc1ccc(CN)cc1.Cl.Cl
InChIInChI=1S/C9H13NO.2ClH/c1-11-7-9-4-2-8(6-10)3-5-9;;/h2-5H,6-7,10H2,1H3;2*1H
InChIKeyZBQLYGVKVUFHTD-UHFFFAOYSA-N
XLogP2.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(methoxymethyl)phenyl]methanamine
CID 16787292
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
[4-[2-[3-(methoxymethyl)phenoxy]ethoxy]phenyl]methanamine
CID 63986556
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[2,6-bis(methoxymethyl)phenyl]methanamine;hydrochloride
CID 19835696
[4-(methoxymethyl)phenyl]methyl carbamate
CID 175563517
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
[4-[4-(2-methoxyethyl)phenyl]phenyl]methanamine
CID 61034030

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(methoxymethyl)phenyl]methanamine;dihydrochloride (CID 133054354) is [4-(methoxymethyl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(methoxymethyl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(methoxymethyl)phenyl]methanamine;dihydrochloride is COCc1ccc(CN)cc1.Cl.Cl.
What is the InChIKey of [4-(methoxymethyl)phenyl]methanamine;dihydrochloride?
The InChIKey is ZBQLYGVKVUFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.2ClH/c1-11-7-9-4-2-8(6-10)3-5-9;;/h2-5H,6-7,10H2,1H3;2*1H.
What are the key properties of [4-(methoxymethyl)phenyl]methanamine;dihydrochloride?
[4-(methoxymethyl)phenyl]methanamine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 133054354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).