N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine

C17H28FN3 — CID 79310287

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3
InChIKeyQXWLJTGSONUPOJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds7

About N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine

N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine (PubChem CID 79310287) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
PubChem CID79310287
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
SMILESCCN1CCCC1CN(C)CCC(N)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3
InChIKeyQXWLJTGSONUPOJ-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310280
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310265
1-(3-fluorophenyl)-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 55259017
N'-[2-(dimethylamino)ethyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699655
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-1-(3-fluorophenyl)propan-1-amine
CID 62643133
N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N'-propylpropane-1,3-diamine
CID 62643649
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
1-[3-amino-3-(3-fluorophenyl)propyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053507
1-(3-fluorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62643348
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine (CID 79310287) is N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine is CCN1CCCC1CN(C)CCC(N)c1cccc(F)c1.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
The InChIKey is QXWLJTGSONUPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-21-10-5-8-16(21)13-20(2)11-9-17(19)14-6-4-7-15(18)12-14/h4,6-7,12,16-17H,3,5,8-11,13,19H2,1-2H3.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine?
N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 79310287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).