[4-(aminomethyl)-3,5-dimethylphenyl]methanol

C10H15NO — CID 23383595

IUPAC[4-(aminomethyl)-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1CN
InChIInChI=1S/C10H15NO/c1-7-3-9(6-12)4-8(2)10(7)5-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyGCAPTLCHEBIWGU-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.25
Rot. Bonds2

About [4-(aminomethyl)-3,5-dimethylphenyl]methanol

[4-(aminomethyl)-3,5-dimethylphenyl]methanol (PubChem CID 23383595) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is [4-(aminomethyl)-3,5-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-3,5-dimethylphenyl]methanol
PubChem CID23383595
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name[4-(aminomethyl)-3,5-dimethylphenyl]methanol
SMILESCc1cc(CO)cc(C)c1CN
InChIInChI=1S/C10H15NO/c1-7-3-9(6-12)4-8(2)10(7)5-11/h3-4,12H,5-6,11H2,1-2H3
InChIKeyGCAPTLCHEBIWGU-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3,5-dimethylphenyl]methanol?
The IUPAC name of [4-(aminomethyl)-3,5-dimethylphenyl]methanol (CID 23383595) is [4-(aminomethyl)-3,5-dimethylphenyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-3,5-dimethylphenyl]methanol?
The canonical SMILES for [4-(aminomethyl)-3,5-dimethylphenyl]methanol is Cc1cc(CO)cc(C)c1CN.
What is the InChIKey of [4-(aminomethyl)-3,5-dimethylphenyl]methanol?
The InChIKey is GCAPTLCHEBIWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7-3-9(6-12)4-8(2)10(7)5-11/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of [4-(aminomethyl)-3,5-dimethylphenyl]methanol?
[4-(aminomethyl)-3,5-dimethylphenyl]methanol has a molecular weight of 165.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3,5-dimethylphenyl]methanol is sourced from PubChem (CID 23383595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).