N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

C14H20F2N2 — CID 81300560

IUPACN-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-9-6-12(8-18(9)3)17-10(2)13-5-4-11(15)7-14(13)16/h4-5,7,9-10,12,17H,6,8H2,1-3H3
InChIKeyRLAROCVMVAPUID-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.71
Rot. Bonds3

About N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine

N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81300560) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81300560
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1ccc(F)cc1F
InChIInChI=1S/C14H20F2N2/c1-9-6-12(8-18(9)3)17-10(2)13-5-4-11(15)7-14(13)16/h4-5,7,9-10,12,17H,6,8H2,1-3H3
InChIKeyRLAROCVMVAPUID-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301717
N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
N-[1-(2,4-difluorophenyl)ethyl]-4-methylcyclohexan-1-amine
CID 43081227
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81343716
N-[1-(2,5-dimethoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301022
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[1-(2,4-difluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086758
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
N-[1-(2-bromo-4-fluorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 115892417

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81300560) is N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is CC(NC1CC(C)N(C)C1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is RLAROCVMVAPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-9-6-12(8-18(9)3)17-10(2)13-5-4-11(15)7-14(13)16/h4-5,7,9-10,12,17H,6,8H2,1-3H3.
What are the key properties of N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81300560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).