[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol

C17H26FNO — CID 80603622

IUPAC[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1(CN)CCCCCCC1
InChIInChI=1S/C17H26FNO/c1-13-11-14(18)7-8-15(13)16(20)17(12-19)9-5-3-2-4-6-10-17/h7-8,11,16,20H,2-6,9-10,12,19H2,1H3
InChIKeyMCDHMTCXRGFMQK-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.86
Rot. Bonds3

About [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol

[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol (PubChem CID 80603622) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
PubChem CID80603622
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol
SMILESCc1cc(F)ccc1C(O)C1(CN)CCCCCCC1
InChIInChI=1S/C17H26FNO/c1-13-11-14(18)7-8-15(13)16(20)17(12-19)9-5-3-2-4-6-10-17/h7-8,11,16,20H,2-6,9-10,12,19H2,1H3
InChIKeyMCDHMTCXRGFMQK-UHFFFAOYSA-N
XLogP3.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol (CID 80603622) is [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)C1(CN)CCCCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol?
The InChIKey is MCDHMTCXRGFMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-13-11-14(18)7-8-15(13)16(20)17(12-19)9-5-3-2-4-6-10-17/h7-8,11,16,20H,2-6,9-10,12,19H2,1H3.
What are the key properties of [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol?
[1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol has a molecular weight of 279.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclooctyl]-(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 80603622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).