2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol

C15H23FN2O — CID 117420244

IUPAC2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(C2(CN)CCCC2)c1O
InChIInChI=1S/C15H23FN2O/c1-18(2)9-11-7-12(16)8-13(14(11)19)15(10-17)5-3-4-6-15/h7-8,19H,3-6,9-10,17H2,1-2H3
InChIKeyCCPCZUMFMLXUCP-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.36
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol

2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol (PubChem CID 117420244) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
PubChem CID117420244
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol
SMILESCN(C)Cc1cc(F)cc(C2(CN)CCCC2)c1O
InChIInChI=1S/C15H23FN2O/c1-18(2)9-11-7-12(16)8-13(14(11)19)15(10-17)5-3-4-6-15/h7-8,19H,3-6,9-10,17H2,1-2H3
InChIKeyCCPCZUMFMLXUCP-UHFFFAOYSA-N
XLogP2.36
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
2-[1-(aminomethyl)cyclopentyl]-6-chloro-4-fluorophenol
CID 84802258
2-[(dimethylamino)methyl]-4-fluoro-6-(2-methylpyrrolidin-2-yl)phenol
CID 117384430
2-[1-(aminomethyl)cyclopentyl]-4-fluorophenol
CID 82612123
[1-(2,5-difluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117355086
[1-(2-chloro-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117397977
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
[1-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)cyclopentyl]methanamine
CID 117448113
[1-(2-chloro-3,5-difluorophenyl)cyclohexyl]methanamine
CID 117403554
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
2-[1-(aminomethyl)cyclopentyl]-6-ethylphenol
CID 117313437

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol?
The IUPAC name of 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol (CID 117420244) is 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol?
The canonical SMILES for 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol is CN(C)Cc1cc(F)cc(C2(CN)CCCC2)c1O.
What is the InChIKey of 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol?
The InChIKey is CCPCZUMFMLXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(2)9-11-7-12(16)8-13(14(11)19)15(10-17)5-3-4-6-15/h7-8,19H,3-6,9-10,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol?
2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol has a molecular weight of 266.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopentyl]-6-[(dimethylamino)methyl]-4-fluorophenol is sourced from PubChem (CID 117420244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).