1-(methylamino)-1-[4-(methylamino)phenyl]ethanol

C10H16N2O — CID 175116513

IUPAC1-(methylamino)-1-[4-(methylamino)phenyl]ethanol
SMILESCNc1ccc(C(C)(O)NC)cc1
InChIInChI=1S/C10H16N2O/c1-10(13,12-3)8-4-6-9(11-2)7-5-8/h4-7,11-13H,1-3H3
InChIKeyRMJJROWSGMGKIF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.11
Rot. Bonds3

About 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol

1-(methylamino)-1-[4-(methylamino)phenyl]ethanol (PubChem CID 175116513) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-(methylamino)-1-[4-(methylamino)phenyl]ethanol
PubChem CID175116513
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-(methylamino)-1-[4-(methylamino)phenyl]ethanol
SMILESCNc1ccc(C(C)(O)NC)cc1
InChIInChI=1S/C10H16N2O/c1-10(13,12-3)8-4-6-9(11-2)7-5-8/h4-7,11-13H,1-3H3
InChIKeyRMJJROWSGMGKIF-UHFFFAOYSA-N
XLogP1.11
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol?
The IUPAC name of 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol (CID 175116513) is 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol.
What is the SMILES notation for 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol?
The canonical SMILES for 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol is CNc1ccc(C(C)(O)NC)cc1.
What is the InChIKey of 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol?
The InChIKey is RMJJROWSGMGKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(13,12-3)8-4-6-9(11-2)7-5-8/h4-7,11-13H,1-3H3.
What are the key properties of 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol?
1-(methylamino)-1-[4-(methylamino)phenyl]ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-[4-(methylamino)phenyl]ethanol is sourced from PubChem (CID 175116513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).