1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine

C18H31N3 — CID 115995389

IUPAC1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H31N3/c1-6-16(19-7-2)15-10-8-9-11-17(15)21-12-14(3)18(13-21)20(4)5/h8-11,14,16,18-19H,6-7,12-13H2,1-5H3
InChIKeyQUKKHLOWQQLDNX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.13
Rot. Bonds6

About 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 115995389) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID115995389
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC(CC)c1ccccc1N1CC(C)C(N(C)C)C1
InChIInChI=1S/C18H31N3/c1-6-16(19-7-2)15-10-8-9-11-17(15)21-12-14(3)18(13-21)20(4)5/h8-11,14,16,18-19H,6-7,12-13H2,1-5H3
InChIKeyQUKKHLOWQQLDNX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[2-(ethylaminomethyl)phenyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81475046
1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(2,5-dimethylpiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995307
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzonitrile
CID 81465342
1-[2-(3-methylpyrrolidin-1-yl)phenyl]-N-propylpropan-1-amine
CID 112677950
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
CID 115995191
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 115995389) is 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNC(CC)c1ccccc1N1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is QUKKHLOWQQLDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-16(19-7-2)15-10-8-9-11-17(15)21-12-14(3)18(13-21)20(4)5/h8-11,14,16,18-19H,6-7,12-13H2,1-5H3.
What are the key properties of 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(ethylamino)propyl]phenyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 115995389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).