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

C10H15NO — CID 88997132

IUPAC[4-(methoxymethyl)-3-methylphenyl]methanamine
SMILESCOCc1ccc(CN)cc1C
InChIInChI=1S/C10H15NO/c1-8-5-9(6-11)3-4-10(8)7-12-2/h3-5H,6-7,11H2,1-2H3
InChIKeyQNURDLJPNDMOIV-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.60
Rot. Bonds3

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

[4-(methoxymethyl)-3-methylphenyl]methanamine (PubChem CID 88997132) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [4-(methoxymethyl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(methoxymethyl)-3-methylphenyl]methanamine
PubChem CID88997132
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[4-(methoxymethyl)-3-methylphenyl]methanamine
SMILESCOCc1ccc(CN)cc1C
InChIInChI=1S/C10H15NO/c1-8-5-9(6-11)3-4-10(8)7-12-2/h3-5H,6-7,11H2,1-2H3
InChIKeyQNURDLJPNDMOIV-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-3-methylphenyl]methanamine
CID 102721796
[4-(2-cyclopropylethoxymethyl)-3-methylphenyl]methanamine
CID 106200256
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
CID 114479347
4-(aminomethyl)-2-(methoxymethyl)benzonitrile
CID 58079864
[4-(cyclohexylmethoxymethyl)-3-methylphenyl]methanamine
CID 114479387
[4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylphenyl]methanamine
CID 114479437
[4-[(4-butylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479426
[3-methyl-4-(nitrosomethyl)phenyl]methanamine
CID 142082936

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3-methylphenyl]methanamine?
The IUPAC name of [4-(methoxymethyl)-3-methylphenyl]methanamine (CID 88997132) is [4-(methoxymethyl)-3-methylphenyl]methanamine.
What is the SMILES notation for [4-(methoxymethyl)-3-methylphenyl]methanamine?
The canonical SMILES for [4-(methoxymethyl)-3-methylphenyl]methanamine is COCc1ccc(CN)cc1C.
What is the InChIKey of [4-(methoxymethyl)-3-methylphenyl]methanamine?
The InChIKey is QNURDLJPNDMOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-9(6-11)3-4-10(8)7-12-2/h3-5H,6-7,11H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-3-methylphenyl]methanamine?
[4-(methoxymethyl)-3-methylphenyl]methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3-methylphenyl]methanamine is sourced from PubChem (CID 88997132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).