N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline

C17H29N3 — CID 79313774

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCCN1CCCC1CN(C)c1ccc(C(C)NC)cc1
InChIInChI=1S/C17H29N3/c1-5-20-12-6-7-17(20)13-19(4)16-10-8-15(9-11-16)14(2)18-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyOTGJAXRDRHYIKN-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.89
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline (PubChem CID 79313774) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
PubChem CID79313774
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
SMILESCCN1CCCC1CN(C)c1ccc(C(C)NC)cc1
InChIInChI=1S/C17H29N3/c1-5-20-12-6-7-17(20)13-19(4)16-10-8-15(9-11-16)14(2)18-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3
InChIKeyOTGJAXRDRHYIKN-UHFFFAOYSA-N
XLogP2.89
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319186
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3-dimethyl-4-(methylaminomethyl)aniline
CID 79319429
N-methyl-4-[1-(methylamino)ethyl]-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 63236805
1-[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 79318550
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215409
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
2-amino-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzoic acid
CID 104500754
(1S)-1-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]phenyl]ethanol
CID 79319401
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methyl-5-(methylaminomethyl)aniline
CID 106531045
2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]benzonitrile
CID 79314436
2-chloro-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 79309715
[4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79318503

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline (CID 79313774) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline is CCN1CCCC1CN(C)c1ccc(C(C)NC)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
The InChIKey is OTGJAXRDRHYIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20-12-6-7-17(20)13-19(4)16-10-8-15(9-11-16)14(2)18-3/h8-11,14,17-18H,5-7,12-13H2,1-4H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline has a molecular weight of 275.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline is sourced from PubChem (CID 79313774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).