2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol

C15H21ClFNO — CID 103041911

IUPAC2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(Cc2ccc(F)c(Cl)c2)C1O
InChIInChI=1S/C15H21ClFNO/c1-14(2)5-6-15(9-18,13(14)19)8-10-3-4-12(17)11(16)7-10/h3-4,7,13,19H,5-6,8-9,18H2,1-2H3
InChIKeyJNARQOKBDZRHGY-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.15
Rot. Bonds3

About 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol

2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol (PubChem CID 103041911) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
PubChem CID103041911
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol
SMILESCC1(C)CCC(CN)(Cc2ccc(F)c(Cl)c2)C1O
InChIInChI=1S/C15H21ClFNO/c1-14(2)5-6-15(9-18,13(14)19)8-10-3-4-12(17)11(16)7-10/h3-4,7,13,19H,5-6,8-9,18H2,1-2H3
InChIKeyJNARQOKBDZRHGY-UHFFFAOYSA-N
XLogP3.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3-Chloro-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 103041031
2-(Aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]cyclopentan-1-ol
CID 103041893
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103041894
3-(Aminomethyl)-4-(3-chloro-4-fluorophenyl)-3-phenylbutan-2-ol
CID 103041910
2-(Aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-6,6-dimethylcyclohexan-1-ol
CID 103041912
4-Amino-1-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 103041941
1-Amino-2-[(5-chloro-2-fluorophenyl)methyl]pentan-2-ol
CID 103047745
1-Amino-2-[(5-chloro-2-fluorophenyl)methyl]-3,3-dimethylbutan-2-ol
CID 103047748
4-Amino-1-(5-chloro-2-fluorophenyl)butan-2-ol
CID 103047775
1-(5-Chloro-2-fluorophenyl)-4-methoxypentan-2-amine
CID 103049075
[3-[(5-Chloro-2-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 103049673
[3-[(5-Chloro-2-fluorophenyl)methyl]-2-cyclopropyloxolan-3-yl]methanamine
CID 103049843

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol (CID 103041911) is 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol is CC1(C)CCC(CN)(Cc2ccc(F)c(Cl)c2)C1O.
What is the InChIKey of 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
The InChIKey is JNARQOKBDZRHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-14(2)5-6-15(9-18,13(14)19)8-10-3-4-12(17)11(16)7-10/h3-4,7,13,19H,5-6,8-9,18H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol?
2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol has a molecular weight of 285.79 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(3-chloro-4-fluorophenyl)methyl]-5,5-dimethylcyclopentan-1-ol is sourced from PubChem (CID 103041911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).