N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine

C18H31N3 — CID 63169857

IUPACN,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(C)C(NC)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-5-20(6-2)17-12-13-21(14-17)15(3)18(19-4)16-10-8-7-9-11-16/h7-11,15,17-19H,5-6,12-14H2,1-4H3
InChIKeyZXTZARKTSDZRCJ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.75
Rot. Bonds7

About N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine

N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine (PubChem CID 63169857) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
PubChem CID63169857
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C(C)C(NC)c2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-5-20(6-2)17-12-13-21(14-17)15(3)18(19-4)16-10-8-7-9-11-16/h7-11,15,17-19H,5-6,12-14H2,1-4H3
InChIKeyZXTZARKTSDZRCJ-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
CID 63166626
2-(3,4-dimethylpiperazin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 63610006
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 86904720
3-[ethyl-[1-(1-phenylethyl)pyrrolidin-3-yl]amino]-N-(2-fluorophenyl)propanamide
CID 56526257
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenyl-N-propylpropan-1-amine
CID 64569116
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83227177
2-(3-ethylpiperidin-1-yl)-N,3-dimethyl-1-phenylbutan-1-amine
CID 63467927
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine (CID 63169857) is N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine is CCN(CC)C1CCN(C(C)C(NC)c2ccccc2)C1.
What is the InChIKey of N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine?
The InChIKey is ZXTZARKTSDZRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-20(6-2)17-12-13-21(14-17)15(3)18(19-4)16-10-8-7-9-11-16/h7-11,15,17-19H,5-6,12-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine?
N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 63169857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).