1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol

C13H23N3O — CID 154167410

IUPAC1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol
SMILESCN(C)Cc1cc(C(O)CN(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-15(2)8-11-7-10(5-6-12(11)14)13(17)9-16(3)4/h5-7,13,17H,8-9,14H2,1-4H3
InChIKeyPIYWVXTZFVILAX-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.93
Rot. Bonds5

About 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol

1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol (PubChem CID 154167410) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol
PubChem CID154167410
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol
SMILESCN(C)Cc1cc(C(O)CN(C)C)ccc1N
InChIInChI=1S/C13H23N3O/c1-15(2)8-11-7-10(5-6-12(11)14)13(17)9-16(3)4/h5-7,13,17H,8-9,14H2,1-4H3
InChIKeyPIYWVXTZFVILAX-UHFFFAOYSA-N
XLogP0.93
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol?
The IUPAC name of 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol (CID 154167410) is 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol.
What is the SMILES notation for 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol?
The canonical SMILES for 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol is CN(C)Cc1cc(C(O)CN(C)C)ccc1N.
What is the InChIKey of 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol?
The InChIKey is PIYWVXTZFVILAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-15(2)8-11-7-10(5-6-12(11)14)13(17)9-16(3)4/h5-7,13,17H,8-9,14H2,1-4H3.
What are the key properties of 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol?
1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol has a molecular weight of 237.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-[(dimethylamino)methyl]phenyl]-2-(dimethylamino)ethanol is sourced from PubChem (CID 154167410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).