N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine

C16H24FN — CID 105375560

IUPACN-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FN/c1-4-18-15-7-8-16(3,11-15)10-13-9-14(17)6-5-12(13)2/h5-6,9,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyUWBCEBATUBYQNE-UHFFFAOYSA-N
MW249.37 g/mol
LogP3.84
Rot. Bonds4

About N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine

N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 105375560) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
PubChem CID105375560
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC NameN-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(Cc2cc(F)ccc2C)C1
InChIInChI=1S/C16H24FN/c1-4-18-15-7-8-16(3,11-15)10-13-9-14(17)6-5-12(13)2/h5-6,9,15,18H,4,7-8,10-11H2,1-3H3
InChIKeyUWBCEBATUBYQNE-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine (CID 105375560) is N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine is CCNC1CCC(C)(Cc2cc(F)ccc2C)C1.
What is the InChIKey of N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is UWBCEBATUBYQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN/c1-4-18-15-7-8-16(3,11-15)10-13-9-14(17)6-5-12(13)2/h5-6,9,15,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine?
N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 249.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 105375560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).