2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol

C15H25ClN2O — CID 84752588

IUPAC2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol
SMILESCCCN(CCC)C(C)(N)Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)15(3,17)11-12-10-13(16)6-7-14(12)19/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3
InChIKeyJYHKDGWIBXVTMP-UHFFFAOYSA-N
MW284.83 g/mol
LogP3.38
Rot. Bonds7

About 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol

2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol (PubChem CID 84752588) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol
PubChem CID84752588
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol
SMILESCCCN(CCC)C(C)(N)Cc1cc(Cl)ccc1O
InChIInChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)15(3,17)11-12-10-13(16)6-7-14(12)19/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3
InChIKeyJYHKDGWIBXVTMP-UHFFFAOYSA-N
XLogP3.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 53.38
H-Bond Donors ≤ 52
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 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol?
The IUPAC name of 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol (CID 84752588) is 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol.
What is the SMILES notation for 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol?
The canonical SMILES for 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol is CCCN(CCC)C(C)(N)Cc1cc(Cl)ccc1O.
What is the InChIKey of 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol?
The InChIKey is JYHKDGWIBXVTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-4-8-18(9-5-2)15(3,17)11-12-10-13(16)6-7-14(12)19/h6-7,10,19H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol?
2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol has a molecular weight of 284.83 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(dipropylamino)propyl]-4-chlorophenol is sourced from PubChem (CID 84752588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).