3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol

Name: 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₄FNO₂ — CID 106144463

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol

SMILESCC(NCC(C)(C)CCCO)c1ccc(O)cc1F

InChIInChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3

InChIKeyGREIQIYUKGMVMF-UHFFFAOYSA-N

MW269.36 g/mol

LogP2.98

Rot. Bonds7

About 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol

3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol (PubChem CID 106144463) has the molecular formula C₁₅H₂₄FNO₂ and a molecular weight of 269.36 g/mol. Its IUPAC name is 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol.

Molecular Properties

Compound Name	3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
PubChem CID	106144463
Molecular Formula	C₁₅H₂₄FNO₂
Molecular Weight	269.36 g/mol
Exact Mass	269.18
IUPAC Name	3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol
SMILES	CC(NCC(C)(C)CCCO)c1ccc(O)cc1F
InChI	InChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3
InChIKey	GREIQIYUKGMVMF-UHFFFAOYSA-N
XLogP	2.98
TPSA	52.49 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	7
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.36
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?

The IUPAC name of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol (CID 106144463) is 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol.

What is the SMILES notation for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?

The canonical SMILES for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol is CC(NCC(C)(C)CCCO)c1ccc(O)cc1F.

What is the InChIKey of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?

The InChIKey is GREIQIYUKGMVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-11(13-6-5-12(19)9-14(13)16)17-10-15(2,3)7-4-8-18/h5-6,9,11,17-19H,4,7-8,10H2,1-3H3.

What are the key properties of 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol?

3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol has a molecular weight of 269.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-[1-[(5-hydroxy-2,2-dimethylpentyl)amino]ethyl]phenol is sourced from PubChem (CID 106144463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 106144463 — identifiers, structure, computed properties (public domain)

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