2-(aminomethyl)-4-propylphenol

C10H15NO — CID 12652118

IUPAC2-(aminomethyl)-4-propylphenol
SMILESCCCc1ccc(O)c(CN)c1
InChIInChI=1S/C10H15NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-6,12H,2-3,7,11H2,1H3
InChIKeyDMUOQDXQTFSPCQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.80
Rot. Bonds3

About 2-(aminomethyl)-4-propylphenol

2-(aminomethyl)-4-propylphenol (PubChem CID 12652118) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(aminomethyl)-4-propylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-4-propylphenol
PubChem CID12652118
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(aminomethyl)-4-propylphenol
SMILESCCCc1ccc(O)c(CN)c1
InChIInChI=1S/C10H15NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-6,12H,2-3,7,11H2,1H3
InChIKeyDMUOQDXQTFSPCQ-UHFFFAOYSA-N
XLogP1.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-2-(aminomethyl)phenol
CID 105433039
2-(aminomethyl)-4-[2-(diethylamino)ethyl]phenol
CID 105479658
(2-methyl-4-propylphenyl)methanamine
CID 86664509
azane;4-propylbenzene-1,2-diol;hydrobromide
CID 18923739
2-ethyl-5-propylphenol
CID 522454
4-nonyl-2-pentylphenol
CID 86162849
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
2-ethyl-4-heptylphenol
CID 58289223
2-(aminomethyl)-4-[3-[5-(1-sulfanylethyl)thiophen-2-yl]pentyl]phenol
CID 174482210
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
2-(2-aminoethyl)-4-(2,2-dimethylpropyl)phenol
CID 117296802
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-propylphenol?
The IUPAC name of 2-(aminomethyl)-4-propylphenol (CID 12652118) is 2-(aminomethyl)-4-propylphenol.
What is the SMILES notation for 2-(aminomethyl)-4-propylphenol?
The canonical SMILES for 2-(aminomethyl)-4-propylphenol is CCCc1ccc(O)c(CN)c1.
What is the InChIKey of 2-(aminomethyl)-4-propylphenol?
The InChIKey is DMUOQDXQTFSPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-4-5-10(12)9(6-8)7-11/h4-6,12H,2-3,7,11H2,1H3.
What are the key properties of 2-(aminomethyl)-4-propylphenol?
2-(aminomethyl)-4-propylphenol has a molecular weight of 165.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-propylphenol is sourced from PubChem (CID 12652118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).