1-[2,3-bis(aminomethyl)phenyl]propan-2-ol

C11H18N2O — CID 101292367

IUPAC1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(CN)c1CN
InChIInChI=1S/C11H18N2O/c1-8(14)5-9-3-2-4-10(6-12)11(9)7-13/h2-4,8,14H,5-7,12-13H2,1H3
InChIKeyBZSYHQVJUWHCJB-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.53
Rot. Bonds4

About 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol

1-[2,3-bis(aminomethyl)phenyl]propan-2-ol (PubChem CID 101292367) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
PubChem CID101292367
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-[2,3-bis(aminomethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1cccc(CN)c1CN
InChIInChI=1S/C11H18N2O/c1-8(14)5-9-3-2-4-10(6-12)11(9)7-13/h2-4,8,14H,5-7,12-13H2,1H3
InChIKeyBZSYHQVJUWHCJB-UHFFFAOYSA-N
XLogP0.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol (CID 101292367) is 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol is CC(O)Cc1cccc(CN)c1CN.
What is the InChIKey of 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol?
The InChIKey is BZSYHQVJUWHCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(14)5-9-3-2-4-10(6-12)11(9)7-13/h2-4,8,14H,5-7,12-13H2,1H3.
What are the key properties of 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol?
1-[2,3-bis(aminomethyl)phenyl]propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(aminomethyl)phenyl]propan-2-ol is sourced from PubChem (CID 101292367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).