N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

C15H23FN2 — CID 115146101

IUPACN-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(CCc1ccccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C15H23FN2/c1-15(2)10-13(11-17-15)18(3)9-8-12-6-4-5-7-14(12)16/h4-7,13,17H,8-11H2,1-3H3
InChIKeyUHGAPIICDSPXAL-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115146101) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115146101
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(CCc1ccccc1F)C1CNC(C)(C)C1
InChIInChI=1S/C15H23FN2/c1-15(2)10-13(11-17-15)18(3)9-8-12-6-4-5-7-14(12)16/h4-7,13,17H,8-11H2,1-3H3
InChIKeyUHGAPIICDSPXAL-UHFFFAOYSA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146092
N-[(2-bromophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115146007
N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115145992
4-N-[2-(2-fluorophenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149918
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
2-(2-fluorophenyl)-N-methyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209099
N,5,5-trimethyl-N-(2-methylphenyl)pyrrolidin-3-amine
CID 82013361
2-[(2-fluorophenyl)methyl]-5,5-dimethylmorpholine
CID 82287155
2-[2-(2-fluorophenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042808
N-methyl-N-[2-(2-methylphenyl)ethyl]cyclopropanamine
CID 67231400
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (CID 115146101) is N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is CN(CCc1ccccc1F)C1CNC(C)(C)C1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is UHGAPIICDSPXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)10-13(11-17-15)18(3)9-8-12-6-4-5-7-14(12)16/h4-7,13,17H,8-11H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 250.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115146101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).