1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

C17H28FN3 — CID 63274437

IUPAC1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)CC1CCN(C)C1)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-19-17(15-5-4-6-16(18)11-15)8-10-21(3)13-14-7-9-20(2)12-14/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3
InChIKeyGYFPWZQSIHDBCX-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.36
Rot. Bonds7

About 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine

1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (PubChem CID 63274437) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
PubChem CID63274437
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
SMILESCNC(CCN(C)CC1CCN(C)C1)c1cccc(F)c1
InChIInChI=1S/C17H28FN3/c1-19-17(15-5-4-6-16(18)11-15)8-10-21(3)13-14-7-9-20(2)12-14/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3
InChIKeyGYFPWZQSIHDBCX-UHFFFAOYSA-N
XLogP2.36
TPSA18.51 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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521664
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-chlorophenyl)-N'-(cyclopentylmethyl)-N,N'-dimethylpropane-1,3-diamine
CID 63633035
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
1-(3-fluorophenyl)-N-methyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 63624690
1-[3-(3-fluorophenyl)-3-(methylamino)propyl]pyrrolidin-3-ol
CID 62943222
(1S)-1-(3-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81365320
1-(4-fluorophenyl)-N,N'-dimethyl-N'-(oxan-4-ylmethyl)propane-1,3-diamine
CID 63713049
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine (CID 63274437) is 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is CNC(CCN(C)CC1CCN(C)C1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
The InChIKey is GYFPWZQSIHDBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-19-17(15-5-4-6-16(18)11-15)8-10-21(3)13-14-7-9-20(2)12-14/h4-6,11,14,17,19H,7-10,12-13H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine?
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine has a molecular weight of 293.43 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63274437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).