4-[2-(aminomethyl)-6-propylphenyl]phenol

C16H19NO — CID 151399870

IUPAC4-[2-(aminomethyl)-6-propylphenyl]phenol
SMILESCCCc1cccc(CN)c1-c1ccc(O)cc1
InChIInChI=1S/C16H19NO/c1-2-4-12-5-3-6-14(11-17)16(12)13-7-9-15(18)10-8-13/h3,5-10,18H,2,4,11,17H2,1H3
InChIKeyOWGDGDDAWZVRKQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.47
Rot. Bonds4

About 4-[2-(aminomethyl)-6-propylphenyl]phenol

4-[2-(aminomethyl)-6-propylphenyl]phenol (PubChem CID 151399870) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-6-propylphenyl]phenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-6-propylphenyl]phenol
PubChem CID151399870
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name4-[2-(aminomethyl)-6-propylphenyl]phenol
SMILESCCCc1cccc(CN)c1-c1ccc(O)cc1
InChIInChI=1S/C16H19NO/c1-2-4-12-5-3-6-14(11-17)16(12)13-7-9-15(18)10-8-13/h3,5-10,18H,2,4,11,17H2,1H3
InChIKeyOWGDGDDAWZVRKQ-UHFFFAOYSA-N
XLogP3.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-6-propylphenyl]phenol?
The IUPAC name of 4-[2-(aminomethyl)-6-propylphenyl]phenol (CID 151399870) is 4-[2-(aminomethyl)-6-propylphenyl]phenol.
What is the SMILES notation for 4-[2-(aminomethyl)-6-propylphenyl]phenol?
The canonical SMILES for 4-[2-(aminomethyl)-6-propylphenyl]phenol is CCCc1cccc(CN)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-(aminomethyl)-6-propylphenyl]phenol?
The InChIKey is OWGDGDDAWZVRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-4-12-5-3-6-14(11-17)16(12)13-7-9-15(18)10-8-13/h3,5-10,18H,2,4,11,17H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-6-propylphenyl]phenol?
4-[2-(aminomethyl)-6-propylphenyl]phenol has a molecular weight of 241.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-6-propylphenyl]phenol is sourced from PubChem (CID 151399870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).