2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol

C15H22FNO — CID 103949020

IUPAC2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
SMILESCCC1(CNCc2cc(F)ccc2O)CCCC1
InChIInChI=1S/C15H22FNO/c1-2-15(7-3-4-8-15)11-17-10-12-9-13(16)5-6-14(12)18/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyHQNXVNLRKHKVCS-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.59
Rot. Bonds5

About 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol

2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol (PubChem CID 103949020) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
PubChem CID103949020
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
SMILESCCC1(CNCc2cc(F)ccc2O)CCCC1
InChIInChI=1S/C15H22FNO/c1-2-15(7-3-4-8-15)11-17-10-12-9-13(16)5-6-14(12)18/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3
InChIKeyHQNXVNLRKHKVCS-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.59
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-[(1-ethylcyclopropyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115968246
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
N-[(1-ethylcyclobutyl)methyl]-1-(2-fluoro-5-methylphenyl)methanamine
CID 114107436
6-[[(1-ethylcyclopropyl)methylamino]methyl]-1,3-benzodioxol-5-ol
CID 113251456
[1-[[(4-fluoro-2-methylphenyl)methylamino]methyl]cyclohexyl]methanol
CID 112697662
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
CID 103741124
2-[[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methylamino]methyl]-4-fluorophenol
CID 124619964
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
2-[(3-aminopropylamino)methyl]-4-fluorophenol
CID 102672647
[1-[[(5-fluoro-2-nitrophenyl)methylamino]methyl]cyclohexyl]methanol
CID 103966376
1-(4-chloro-2-fluorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 102609714
2-[(2,2-diethoxyethylamino)methyl]-4-fluorophenol
CID 107694482

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol?
The IUPAC name of 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol (CID 103949020) is 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol.
What is the SMILES notation for 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol?
The canonical SMILES for 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol is CCC1(CNCc2cc(F)ccc2O)CCCC1.
What is the InChIKey of 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol?
The InChIKey is HQNXVNLRKHKVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-15(7-3-4-8-15)11-17-10-12-9-13(16)5-6-14(12)18/h5-6,9,17-18H,2-4,7-8,10-11H2,1H3.
What are the key properties of 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol?
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol has a molecular weight of 251.34 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol is sourced from PubChem (CID 103949020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).