3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

Name: 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₂FNO — CID 171962325

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

IUPAC3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

SMILESCc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2

InChIInChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3

InChIKeyNIECPFPVXKSTJZ-UHFFFAOYSA-N

MW263.36 g/mol

LogP2.71

Rot. Bonds2

About 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol

3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962325) has the molecular formula C₁₆H₂₂FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name	3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID	171962325
Molecular Formula	C₁₆H₂₂FNO
Molecular Weight	263.36 g/mol
Exact Mass	263.17
IUPAC Name	3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
SMILES	Cc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2
InChI	InChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3
InChIKey	NIECPFPVXKSTJZ-UHFFFAOYSA-N
XLogP	2.71
TPSA	32.26 Å²
H-Bond Donors	2
H-Bond Acceptors	2
Rotatable Bonds	2
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.36
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?

The IUPAC name of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962325) is 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol.

What is the SMILES notation for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?

The canonical SMILES for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is Cc1ccc(F)cc1CC1(O)CC2CCCC(C1)N2.

What is the InChIKey of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?

The InChIKey is NIECPFPVXKSTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-11-5-6-13(17)7-12(11)8-16(19)9-14-3-2-4-15(10-16)18-14/h5-7,14-15,18-19H,2-4,8-10H2,1H3.

What are the key properties of 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol?

3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 263.36 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 171962325 — identifiers, structure, computed properties (public domain)

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