1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

C18H31N3 — CID 81452251

IUPAC1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(c1ccccc1)C(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H31N3/c1-6-19-18(16-10-8-7-9-11-16)15(3)21-12-14(2)17(13-21)20(4)5/h7-11,14-15,17-19H,6,12-13H2,1-5H3
InChIKeyKCFWRNYAIIJBMC-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.61
Rot. Bonds6

About 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine

1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81452251) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81452251
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(c1ccccc1)C(C)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H31N3/c1-6-19-18(16-10-8-7-9-11-16)15(3)21-12-14(2)17(13-21)20(4)5/h7-11,14-15,17-19H,6,12-13H2,1-5H3
InChIKeyKCFWRNYAIIJBMC-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,4-trimethyl-1-[1-phenyl-2-(propan-2-ylamino)ethyl]pyrrolidin-3-amine
CID 81463881
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 81474761
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 115995389
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylbutanoate
CID 81475565
N,N,4-trimethyl-1-[1-(propan-2-ylamino)butan-2-yl]pyrrolidin-3-amine
CID 81469258
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
(3S,4R)-1-[(1R)-1-(4-chlorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 100904795
1-[2-amino-1-(2-methoxyphenyl)ethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81460436
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]pentan-3-one
CID 81474961
1-[2-(ethylamino)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81464849

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81452251) is 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is CCNC(c1ccccc1)C(C)N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is KCFWRNYAIIJBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-19-18(16-10-8-7-9-11-16)15(3)21-12-14(2)17(13-21)20(4)5/h7-11,14-15,17-19H,6,12-13H2,1-5H3.
What are the key properties of 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-1-phenylpropan-2-yl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81452251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).