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

C18H31N3 — CID 63170650

IUPACN,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
SMILESCCNC(C)c1ccccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C18H31N3/c1-5-19-15(4)17-10-8-9-11-18(17)21-13-12-16(14-21)20(6-2)7-3/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyKOPWWDBOOOWSIC-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.28
Rot. Bonds7

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

N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine (PubChem CID 63170650) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
PubChem CID63170650
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine
SMILESCCNC(C)c1ccccc1N1CCC(N(CC)CC)C1
InChIInChI=1S/C18H31N3/c1-5-19-15(4)17-10-8-9-11-18(17)21-13-12-16(14-21)20(6-2)7-3/h8-11,15-16,19H,5-7,12-14H2,1-4H3
InChIKeyKOPWWDBOOOWSIC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-N-ethylethanamine
CID 61441210
N,N-diethyl-1-[3-fluoro-2-[1-(methylamino)ethyl]phenyl]pyrrolidin-3-amine
CID 63170648
4-[2-[1-(ethylamino)ethyl]phenyl]morpholine-2-carbonitrile
CID 79674361
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
N-ethyl-1-[2-(1,4-thiazepan-4-yl)phenyl]ethanamine
CID 61419346
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
(1S)-1-[2-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanol
CID 63372106
1-(2-amino-3-fluorophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168224
1-[2-(2-azaspiro[3.6]decan-2-yl)phenyl]-N-ethylethanamine
CID 79677107
2-amino-3-[3-(diethylamino)pyrrolidin-1-yl]benzamide
CID 115546054
3-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]prop-2-enoic acid
CID 76986850

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine (CID 63170650) is N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine is CCNC(C)c1ccccc1N1CCC(N(CC)CC)C1.
What is the InChIKey of N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine?
The InChIKey is KOPWWDBOOOWSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-19-15(4)17-10-8-9-11-18(17)21-13-12-16(14-21)20(6-2)7-3/h8-11,15-16,19H,5-7,12-14H2,1-4H3.
What are the key properties of N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine?
N,N-diethyl-1-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 3.28, 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-[2-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 63170650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).