2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol

C13H17ClFNO — CID 65395688

IUPAC2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
SMILESNCC1(Cc2ccc(F)cc2Cl)CCCC1O
InChIInChI=1S/C13H17ClFNO/c14-11-6-10(15)4-3-9(11)7-13(8-16)5-1-2-12(13)17/h3-4,6,12,17H,1-2,5,7-8,16H2
InChIKeyGRFHAXRGDFWFBM-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.51
Rot. Bonds3

About 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol

2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol (PubChem CID 65395688) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
PubChem CID65395688
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
SMILESNCC1(Cc2ccc(F)cc2Cl)CCCC1O
InChIInChI=1S/C13H17ClFNO/c14-11-6-10(15)4-3-9(11)7-13(8-16)5-1-2-12(13)17/h3-4,6,12,17H,1-2,5,7-8,16H2
InChIKeyGRFHAXRGDFWFBM-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol (CID 65395688) is 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol is NCC1(Cc2ccc(F)cc2Cl)CCCC1O.
What is the InChIKey of 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol?
The InChIKey is GRFHAXRGDFWFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c14-11-6-10(15)4-3-9(11)7-13(8-16)5-1-2-12(13)17/h3-4,6,12,17H,1-2,5,7-8,16H2.
What are the key properties of 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol?
2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol has a molecular weight of 257.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(2-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65395688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).