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

C15H25N3 — CID 79303405

IUPAC2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
SMILESCCN1CCCC1CN(C)Cc1ccccc1N
InChIInChI=1S/C15H25N3/c1-3-18-10-6-8-14(18)12-17(2)11-13-7-4-5-9-15(13)16/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3
InChIKeyVRMMEONSLYAMHU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.18
Rot. Bonds5

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

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline (PubChem CID 79303405) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline.

Molecular Properties

Compound Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
PubChem CID79303405
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
SMILESCCN1CCCC1CN(C)Cc1ccccc1N
InChIInChI=1S/C15H25N3/c1-3-18-10-6-8-14(18)12-17(2)11-13-7-4-5-9-15(13)16/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3
InChIKeyVRMMEONSLYAMHU-UHFFFAOYSA-N
XLogP2.18
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline?
The IUPAC name of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline (CID 79303405) is 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline.
What is the SMILES notation for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline?
The canonical SMILES for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline is CCN1CCCC1CN(C)Cc1ccccc1N.
What is the InChIKey of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline?
The InChIKey is VRMMEONSLYAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18-10-6-8-14(18)12-17(2)11-13-7-4-5-9-15(13)16/h4-5,7,9,14H,3,6,8,10-12,16H2,1-2H3.
What are the key properties of 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline?
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline has a molecular weight of 247.39 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline is sourced from PubChem (CID 79303405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).