3-[4-amino-3-(aminomethyl)butyl]phenol

C11H18N2O — CID 83930255

IUPAC3-[4-amino-3-(aminomethyl)butyl]phenol
SMILESNCC(CN)CCc1cccc(O)c1
InChIInChI=1S/C11H18N2O/c12-7-10(8-13)5-4-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12-13H2
InChIKeyGKNYEUNTYIFWSB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.86
Rot. Bonds5

About 3-[4-amino-3-(aminomethyl)butyl]phenol

3-[4-amino-3-(aminomethyl)butyl]phenol (PubChem CID 83930255) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[4-amino-3-(aminomethyl)butyl]phenol.

Molecular Properties

Compound Name3-[4-amino-3-(aminomethyl)butyl]phenol
PubChem CID83930255
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[4-amino-3-(aminomethyl)butyl]phenol
SMILESNCC(CN)CCc1cccc(O)c1
InChIInChI=1S/C11H18N2O/c12-7-10(8-13)5-4-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12-13H2
InChIKeyGKNYEUNTYIFWSB-UHFFFAOYSA-N
XLogP0.86
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)-6-(3-hydroxyphenyl)-5-methylhexyl]benzene-1,2-diol
CID 143701812
3-(3-fluorobutyl)phenol
CID 84653086
2-amino-4-(3-hydroxyphenyl)butanoic acid
CID 55252577
3-(2-aminooxyethyl)phenol
CID 83479668
3-(3-hydroxypentyl)phenol
CID 21193621
3-(2-aminoethyl)phenol;thiourea
CID 159787139
3-[12-(3-hydroxyphenyl)dodecyl]phenol
CID 169297924
4-(3-hydroxyphenyl)butan-2-yl-trimethylazanium iodide
CID 3026690
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
3-[3-hydroxy-4-(methylamino)butyl]phenol
CID 174708879
2-(aminomethyl)-4-ethyl-7-(3-hydroxyphenyl)heptanoic acid
CID 69269231
3-[2-[2-(3-hydroxyphenyl)ethoxy]ethyl]phenol
CID 23050674

Frequently Asked Questions

What is the IUPAC name of 3-[4-amino-3-(aminomethyl)butyl]phenol?
The IUPAC name of 3-[4-amino-3-(aminomethyl)butyl]phenol (CID 83930255) is 3-[4-amino-3-(aminomethyl)butyl]phenol.
What is the SMILES notation for 3-[4-amino-3-(aminomethyl)butyl]phenol?
The canonical SMILES for 3-[4-amino-3-(aminomethyl)butyl]phenol is NCC(CN)CCc1cccc(O)c1.
What is the InChIKey of 3-[4-amino-3-(aminomethyl)butyl]phenol?
The InChIKey is GKNYEUNTYIFWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-7-10(8-13)5-4-9-2-1-3-11(14)6-9/h1-3,6,10,14H,4-5,7-8,12-13H2.
What are the key properties of 3-[4-amino-3-(aminomethyl)butyl]phenol?
3-[4-amino-3-(aminomethyl)butyl]phenol has a molecular weight of 194.28 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-amino-3-(aminomethyl)butyl]phenol is sourced from PubChem (CID 83930255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).