3-[4-(aminomethyl)phenyl]phenol

C13H13NO — CID 82038924

IUPAC3-[4-(aminomethyl)phenyl]phenol
SMILESNCc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8,15H,9,14H2
InChIKeyLFCSUJGYQAGXHF-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.52
Rot. Bonds2

About 3-[4-(aminomethyl)phenyl]phenol

3-[4-(aminomethyl)phenyl]phenol (PubChem CID 82038924) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-[4-(aminomethyl)phenyl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)phenyl]phenol
PubChem CID82038924
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3-[4-(aminomethyl)phenyl]phenol
SMILESNCc1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8,15H,9,14H2
InChIKeyLFCSUJGYQAGXHF-UHFFFAOYSA-N
XLogP2.52
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

m-Tyramine
CID 11492
2-(Aminomethyl)phenol
CID 70267
MK-4815
CID 10354063
3-(2-Aminopropyl)phenol
CID 102551
3-(Aminomethyl)phenol
CID 735894
Tridesmethylvenlafaxine
CID 9859500
Gepefrine
CID 219105
1-(Aminomethyl)naphthalen-2-ol
CID 241200
1-Benzyl-4-(3-hydroxyphenyl)piperidine
CID 22397839
OG-L002
CID 56639570
5-(Aminomethyl)naphthalen-2-ol
CID 44352201
(+)-O-Desmethyl-N,N-bisdesmethyl Tramadol
CID 10220107

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)phenyl]phenol?
The IUPAC name of 3-[4-(aminomethyl)phenyl]phenol (CID 82038924) is 3-[4-(aminomethyl)phenyl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)phenyl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)phenyl]phenol is NCc1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[4-(aminomethyl)phenyl]phenol?
The InChIKey is LFCSUJGYQAGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8,15H,9,14H2.
What are the key properties of 3-[4-(aminomethyl)phenyl]phenol?
3-[4-(aminomethyl)phenyl]phenol has a molecular weight of 199.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)phenyl]phenol is sourced from PubChem (CID 82038924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).