4-(1-cyclopropylpropylamino)phenol

C12H17NO — CID 64918837

IUPAC4-(1-cyclopropylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1)C1CC1
InChIInChI=1S/C12H17NO/c1-2-12(9-3-4-9)13-10-5-7-11(14)8-6-10/h5-9,12-14H,2-4H2,1H3
InChIKeyJQQHKVUUCWYNEN-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.99
Rot. Bonds4

About 4-(1-cyclopropylpropylamino)phenol

4-(1-cyclopropylpropylamino)phenol (PubChem CID 64918837) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-(1-cyclopropylpropylamino)phenol.

Molecular Properties

Compound Name4-(1-cyclopropylpropylamino)phenol
PubChem CID64918837
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-(1-cyclopropylpropylamino)phenol
SMILESCCC(Nc1ccc(O)cc1)C1CC1
InChIInChI=1S/C12H17NO/c1-2-12(9-3-4-9)13-10-5-7-11(14)8-6-10/h5-9,12-14H,2-4H2,1H3
InChIKeyJQQHKVUUCWYNEN-UHFFFAOYSA-N
XLogP2.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpropylamino)phenol?
The IUPAC name of 4-(1-cyclopropylpropylamino)phenol (CID 64918837) is 4-(1-cyclopropylpropylamino)phenol.
What is the SMILES notation for 4-(1-cyclopropylpropylamino)phenol?
The canonical SMILES for 4-(1-cyclopropylpropylamino)phenol is CCC(Nc1ccc(O)cc1)C1CC1.
What is the InChIKey of 4-(1-cyclopropylpropylamino)phenol?
The InChIKey is JQQHKVUUCWYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-12(9-3-4-9)13-10-5-7-11(14)8-6-10/h5-9,12-14H,2-4H2,1H3.
What are the key properties of 4-(1-cyclopropylpropylamino)phenol?
4-(1-cyclopropylpropylamino)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpropylamino)phenol is sourced from PubChem (CID 64918837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).