2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol

C17H22FNO — CID 115951364

IUPAC2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
SMILESOc1c(F)cccc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H22FNO/c18-15-6-1-3-10(17(15)20)9-19-16-8-11-7-14(16)13-5-2-4-12(11)13/h1,3,6,11-14,16,19-20H,2,4-5,7-9H2
InChIKeyLXOOIFSJDPLPPZ-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.45
Rot. Bonds3

About 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol

2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol (PubChem CID 115951364) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
PubChem CID115951364
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol
SMILESOc1c(F)cccc1CNC1CC2CC1C1CCCC21
InChIInChI=1S/C17H22FNO/c18-15-6-1-3-10(17(15)20)9-19-16-8-11-7-14(16)13-5-2-4-12(11)13/h1,3,6,11-14,16,19-20H,2,4-5,7-9H2
InChIKeyLXOOIFSJDPLPPZ-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylphenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43223708
2-(2-fluorophenyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124794619
(1S,2R,6R,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 15523767
(1R,2R,6S,7S,8R)-N-[(3-chlorophenyl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 18557367
2-fluoro-6-[[(2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 112607156
[3-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenyl]methanol;hydrochloride
CID 139951785
N-(furan-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 16775468
2-fluoro-6-[[(5-methyl-2-propan-2-ylcyclohexyl)amino]methyl]phenol
CID 115951251
2-fluoro-6-[[(4-methylcyclohexyl)amino]methyl]phenol
CID 83295501
N-(pyridin-2-ylmethyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 20726962
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
2-[(2-fluorophenyl)methylamino]cyclopentan-1-ol
CID 60713458

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol?
The IUPAC name of 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol (CID 115951364) is 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol is Oc1c(F)cccc1CNC1CC2CC1C1CCCC21.
What is the InChIKey of 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol?
The InChIKey is LXOOIFSJDPLPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-15-6-1-3-10(17(15)20)9-19-16-8-11-7-14(16)13-5-2-4-12(11)13/h1,3,6,11-14,16,19-20H,2,4-5,7-9H2.
What are the key properties of 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol?
2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol has a molecular weight of 275.37 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]phenol is sourced from PubChem (CID 115951364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).