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

C16H26FN3 — CID 81474862

IUPAC1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCC(N)c2ccccc2F)CC1N(C)C
InChIInChI=1S/C16H26FN3/c1-12-10-20(11-16(12)19(2)3)9-8-15(18)13-6-4-5-7-14(13)17/h4-7,12,15-16H,8-11,18H2,1-3H3
InChIKeyUKQQZCKXZDCHEA-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.10
Rot. Bonds5

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

1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474862) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474862
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCC1CN(CCC(N)c2ccccc2F)CC1N(C)C
InChIInChI=1S/C16H26FN3/c1-12-10-20(11-16(12)19(2)3)9-8-15(18)13-6-4-5-7-14(13)17/h4-7,12,15-16H,8-11,18H2,1-3H3
InChIKeyUKQQZCKXZDCHEA-UHFFFAOYSA-N
XLogP2.10
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474862) is 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine is CC1CN(CCC(N)c2ccccc2F)CC1N(C)C.
What is the InChIKey of 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is UKQQZCKXZDCHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-12-10-20(11-16(12)19(2)3)9-8-15(18)13-6-4-5-7-14(13)17/h4-7,12,15-16H,8-11,18H2,1-3H3.
What are the key properties of 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 279.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).