2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol

C12H20N2O — CID 83930477

IUPAC2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
SMILESCC(CC(CN)CN)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-9(6-10(7-13)8-14)11-4-2-3-5-12(11)15/h2-5,9-10,15H,6-8,13-14H2,1H3
InChIKeyLARWFOBLHJXQEB-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.42
Rot. Bonds5

About 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol

2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol (PubChem CID 83930477) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
PubChem CID83930477
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol
SMILESCC(CC(CN)CN)c1ccccc1O
InChIInChI=1S/C12H20N2O/c1-9(6-10(7-13)8-14)11-4-2-3-5-12(11)15/h2-5,9-10,15H,6-8,13-14H2,1H3
InChIKeyLARWFOBLHJXQEB-UHFFFAOYSA-N
XLogP1.42
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol?
The IUPAC name of 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol (CID 83930477) is 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol.
What is the SMILES notation for 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol?
The canonical SMILES for 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol is CC(CC(CN)CN)c1ccccc1O.
What is the InChIKey of 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol?
The InChIKey is LARWFOBLHJXQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(6-10(7-13)8-14)11-4-2-3-5-12(11)15/h2-5,9-10,15H,6-8,13-14H2,1H3.
What are the key properties of 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol?
2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol has a molecular weight of 208.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(aminomethyl)pentan-2-yl]phenol is sourced from PubChem (CID 83930477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).