1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

C16H25FN2 — CID 64501769

IUPAC1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCCC1CCC(CN)(N(C)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2/c1-3-13-7-8-16(10-13,12-18)19(2)11-14-5-4-6-15(17)9-14/h4-6,9,13H,3,7-8,10-12,18H2,1-2H3
InChIKeyPGEZKOQTWLQCIW-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.17
Rot. Bonds5

About 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine

1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (PubChem CID 64501769) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
PubChem CID64501769
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine
SMILESCCC1CCC(CN)(N(C)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H25FN2/c1-3-13-7-8-16(10-13,12-18)19(2)11-14-5-4-6-15(17)9-14/h4-6,9,13H,3,7-8,10-12,18H2,1-2H3
InChIKeyPGEZKOQTWLQCIW-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine (CID 64501769) is 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is CCC1CCC(CN)(N(C)Cc2cccc(F)c2)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
The InChIKey is PGEZKOQTWLQCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-7-8-16(10-13,12-18)19(2)11-14-5-4-6-15(17)9-14/h4-6,9,13H,3,7-8,10-12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine?
1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine has a molecular weight of 264.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylcyclopentan-1-amine is sourced from PubChem (CID 64501769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).