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

C14H21FN2 — CID 81301717

IUPACN-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-10-8-14(9-17(10)3)16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyMATMKOUQMAWABP-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.57
Rot. Bonds3

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

N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81301717) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81301717
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC(NC1CC(C)N(C)C1)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-10-8-14(9-17(10)3)16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,8-9H2,1-3H3
InChIKeyMATMKOUQMAWABP-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467258
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
N-[1-(2,5-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81298336
N-[1-(2,4-difluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81300560
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
1,5-dimethyl-N-[(1S)-1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81467257
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-methylcyclopentan-1-amine
CID 81351515
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81467676
1,2-dimethyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-4-amine
CID 79144680
3-(4-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclobutan-1-amine
CID 81351603
3-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclopentane-1,3-diamine
CID 81348443

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine (CID 81301717) is N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is CC(NC1CC(C)N(C)C1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is MATMKOUQMAWABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-8-14(9-17(10)3)16-11(2)12-4-6-13(15)7-5-12/h4-7,10-11,14,16H,8-9H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 236.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81301717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).