N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

C15H22F2N2 — CID 115146092

IUPACN-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(CCc1ccc(F)c(F)c1)C1CNC(C)(C)C1
InChIInChI=1S/C15H22F2N2/c1-15(2)9-12(10-18-15)19(3)7-6-11-4-5-13(16)14(17)8-11/h4-5,8,12,18H,6-7,9-10H2,1-3H3
InChIKeyDWGPFKQJMQFYEM-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.58
Rot. Bonds4

About N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine

N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 115146092) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID115146092
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine
SMILESCN(CCc1ccc(F)c(F)c1)C1CNC(C)(C)C1
InChIInChI=1S/C15H22F2N2/c1-15(2)9-12(10-18-15)19(3)7-6-11-4-5-13(16)14(17)8-11/h4-5,8,12,18H,6-7,9-10H2,1-3H3
InChIKeyDWGPFKQJMQFYEM-UHFFFAOYSA-N
XLogP2.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115119108
N-[(5-bromo-2-fluorophenyl)methyl]-N,5,5-trimethylpyrrolidin-3-amine
CID 115145992
N-ethyl-N-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 82014462
2-(3,4-difluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244934
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
N-(3,4-difluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 115145682
N,2,2-trimethyl-N-(2-pyridin-3-ylethyl)piperidin-4-amine
CID 115145628
N'-[2-(3,4-difluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197450
2-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-5,5-dimethylpiperazine
CID 82925014
N-[(4-chlorophenyl)methyl]-N,2,2-trimethylpiperidin-4-amine
CID 115145533
N-methyl-N-[2-(4-methylsulfanylphenyl)ethyl]azetidin-3-amine
CID 117040828
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine (CID 115146092) is N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is CN(CCc1ccc(F)c(F)c1)C1CNC(C)(C)C1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is DWGPFKQJMQFYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(2)9-12(10-18-15)19(3)7-6-11-4-5-13(16)14(17)8-11/h4-5,8,12,18H,6-7,9-10H2,1-3H3.
What are the key properties of N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine?
N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 268.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)ethyl]-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115146092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).