N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine

C18H29FN2 — CID 83220381

IUPACN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1C(C)CCC1CC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-4-17-10-9-14(3)21(17)12-11-18(20-5-2)15-7-6-8-16(19)13-15/h6-8,13-14,17-18,20H,4-5,9-12H2,1-3H3
InChIKeyDDUPUMXNAVBEHE-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds7

About N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine

N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine (PubChem CID 83220381) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
PubChem CID83220381
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1C(C)CCC1CC)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-4-17-10-9-14(3)21(17)12-11-18(20-5-2)15-7-6-8-16(19)13-15/h6-8,13-14,17-18,20H,4-5,9-12H2,1-3H3
InChIKeyDDUPUMXNAVBEHE-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-amine
CID 83220497
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
[1-[3-(ethylamino)-3-(3-fluorophenyl)propyl]pyrrolidin-2-yl]methanol
CID 62644713
4-ethoxy-N-ethyl-1-(3-fluorophenyl)butan-1-amine
CID 105092697
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 83221696
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
CID 83221627
N,N',N'-triethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 62644081
N'-(cyclobutylmethyl)-N,N'-diethyl-1-(3-fluorophenyl)propane-1,3-diamine
CID 107401542
N-ethyl-1-(3-fluorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529913
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine (CID 83220381) is N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine is CCNC(CCN1C(C)CCC1CC)c1cccc(F)c1.
What is the InChIKey of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is DDUPUMXNAVBEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-17-10-9-14(3)21(17)12-11-18(20-5-2)15-7-6-8-16(19)13-15/h6-8,13-14,17-18,20H,4-5,9-12H2,1-3H3.
What are the key properties of N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine?
N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83220381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).