1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine

C16H26FN3 — CID 81464189

IUPAC1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)C(c1ccc(F)cc1)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-11-9-20(10-15(11)19(3)4)16(12(2)18)13-5-7-14(17)8-6-13/h5-8,11-12,15-16H,9-10,18H2,1-4H3
InChIKeyLGPIPOYSUTWTRF-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.10
Rot. Bonds4

About 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81464189) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81464189
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC(N)C(c1ccc(F)cc1)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C16H26FN3/c1-11-9-20(10-15(11)19(3)4)16(12(2)18)13-5-7-14(17)8-6-13/h5-8,11-12,15-16H,9-10,18H2,1-4H3
InChIKeyLGPIPOYSUTWTRF-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-1-(4-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81450382
1-[2-amino-1-(4-bromophenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451292
1-[2-(1-aminoethyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464769
1-(3,4-difluorophenyl)-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]propan-1-one
CID 81464671
1-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-fluorophenyl)propan-2-amine
CID 63603808
1-[4-[(1R)-1-aminoethyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81463769
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 81474761
1-[2-(2-aminopropyl)-4-fluorophenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81469750
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-fluorophenyl)propan-2-amine
CID 79919024
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81464189) is 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine is CC(N)C(c1ccc(F)cc1)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is LGPIPOYSUTWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-11-9-20(10-15(11)19(3)4)16(12(2)18)13-5-7-14(17)8-6-13/h5-8,11-12,15-16H,9-10,18H2,1-4H3.
What are the key properties of 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81464189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).