4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol

C15H23ClFNO — CID 154938504

IUPAC4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol
SMILESCCCC(CCN(C)C)Cc1cc(O)cc(F)c1Cl
InChIInChI=1S/C15H23ClFNO/c1-4-5-11(6-7-18(2)3)8-12-9-13(19)10-14(17)15(12)16/h9-11,19H,4-8H2,1-3H3
InChIKeyDVRHLSMRZPZJGP-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.10
Rot. Bonds7

About 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol

4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol (PubChem CID 154938504) has the molecular formula C15H23ClFNO and a molecular weight of 287.81 g/mol. Its IUPAC name is 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol.

Molecular Properties

Compound Name4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol
PubChem CID154938504
Molecular FormulaC15H23ClFNO
Molecular Weight287.81 g/mol
Exact Mass287.15
IUPAC Name4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol
SMILESCCCC(CCN(C)C)Cc1cc(O)cc(F)c1Cl
InChIInChI=1S/C15H23ClFNO/c1-4-5-11(6-7-18(2)3)8-12-9-13(19)10-14(17)15(12)16/h9-11,19H,4-8H2,1-3H3
InChIKeyDVRHLSMRZPZJGP-UHFFFAOYSA-N
XLogP4.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol?
The IUPAC name of 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol (CID 154938504) is 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol.
What is the SMILES notation for 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol?
The canonical SMILES for 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol is CCCC(CCN(C)C)Cc1cc(O)cc(F)c1Cl.
What is the InChIKey of 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol?
The InChIKey is DVRHLSMRZPZJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFNO/c1-4-5-11(6-7-18(2)3)8-12-9-13(19)10-14(17)15(12)16/h9-11,19H,4-8H2,1-3H3.
What are the key properties of 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol?
4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol has a molecular weight of 287.81 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2S)-2-[2-(dimethylamino)ethyl]pentyl]-5-fluorophenol is sourced from PubChem (CID 154938504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).