[3,4-bis(aminomethyl)phenyl]methanol

C9H14N2O — CID 151028511

IUPAC[3,4-bis(aminomethyl)phenyl]methanol
SMILESNCc1ccc(CO)cc1CN
InChIInChI=1S/C9H14N2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-3,12H,4-6,10-11H2
InChIKeyLZOAZNCNQHUMSE-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.10
Rot. Bonds3

About [3,4-bis(aminomethyl)phenyl]methanol

[3,4-bis(aminomethyl)phenyl]methanol (PubChem CID 151028511) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [3,4-bis(aminomethyl)phenyl]methanol.

Molecular Properties

Compound Name[3,4-bis(aminomethyl)phenyl]methanol
PubChem CID151028511
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[3,4-bis(aminomethyl)phenyl]methanol
SMILESNCc1ccc(CO)cc1CN
InChIInChI=1S/C9H14N2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-3,12H,4-6,10-11H2
InChIKeyLZOAZNCNQHUMSE-UHFFFAOYSA-N
XLogP0.10
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(aminomethyl)phenyl]methanol?
The IUPAC name of [3,4-bis(aminomethyl)phenyl]methanol (CID 151028511) is [3,4-bis(aminomethyl)phenyl]methanol.
What is the SMILES notation for [3,4-bis(aminomethyl)phenyl]methanol?
The canonical SMILES for [3,4-bis(aminomethyl)phenyl]methanol is NCc1ccc(CO)cc1CN.
What is the InChIKey of [3,4-bis(aminomethyl)phenyl]methanol?
The InChIKey is LZOAZNCNQHUMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-3,12H,4-6,10-11H2.
What are the key properties of [3,4-bis(aminomethyl)phenyl]methanol?
[3,4-bis(aminomethyl)phenyl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(aminomethyl)phenyl]methanol is sourced from PubChem (CID 151028511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).