N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine

C18H31N3 — CID 63166626

IUPACN,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
SMILESCCNCC(c1ccccc1)N1CCC(N(CC)CC)C1
InChIInChI=1S/C18H31N3/c1-4-19-14-18(16-10-8-7-9-11-16)21-13-12-17(15-21)20(5-2)6-3/h7-11,17-19H,4-6,12-15H2,1-3H3
InChIKeyDTQIMFGSUAZLBZ-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.75
Rot. Bonds8

About N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine

N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine (PubChem CID 63166626) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
PubChem CID63166626
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine
SMILESCCNCC(c1ccccc1)N1CCC(N(CC)CC)C1
InChIInChI=1S/C18H31N3/c1-4-19-14-18(16-10-8-7-9-11-16)21-13-12-17(15-21)20(5-2)6-3/h7-11,17-19H,4-6,12-15H2,1-3H3
InChIKeyDTQIMFGSUAZLBZ-UHFFFAOYSA-N
XLogP2.75
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[1-(methylamino)-1-phenylpropan-2-yl]pyrrolidin-3-amine
CID 63169857
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
1-[2-amino-1-(4-fluorophenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63171490
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
N-ethyl-2-morpholin-4-yl-2-phenylethanamine;molecular hydrogen
CID 144767437
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
N-ethyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-phenylethanamine
CID 114413305
N-ethyl-2-phenyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanamine
CID 114490718
2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethyl-2-phenylethanamine
CID 64579466
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
4-[1-[3-(diethylamino)pyrrolidin-1-yl]ethyl]phenol
CID 82979936
N-[[1-(2-methoxy-1-phenylethyl)piperidin-4-yl]methyl]ethanamine
CID 103465126

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine (CID 63166626) is N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine is CCNCC(c1ccccc1)N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine?
The InChIKey is DTQIMFGSUAZLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-19-14-18(16-10-8-7-9-11-16)21-13-12-17(15-21)20(5-2)6-3/h7-11,17-19H,4-6,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine?
N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(ethylamino)-1-phenylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 63166626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).