3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine

C15H25N3 — CID 117012470

IUPAC3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1ccc(N2CCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3/c1-4-13-5-7-14(8-6-13)18-10-9-15(11-16,12-18)17(2)3/h5-8H,4,9-12,16H2,1-3H3
InChIKeyIKSVSBXFYORQJJ-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.72
Rot. Bonds4

About 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine

3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 117012470) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID117012470
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCCc1ccc(N2CCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C15H25N3/c1-4-13-5-7-14(8-6-13)18-10-9-15(11-16,12-18)17(2)3/h5-8H,4,9-12,16H2,1-3H3
InChIKeyIKSVSBXFYORQJJ-UHFFFAOYSA-N
XLogP1.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
CID 117012738
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 117012473
3-amino-1-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 117012971
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
3-(aminomethyl)-N,N-dimethyl-1-propylpyrrolidin-3-amine
CID 117012434
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
1-(4-ethylphenyl)-4,4-dimethyl-1,5-diazocane
CID 117014650
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428
4-(4-ethylphenyl)morpholine
CID 20576442
4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820470
1-(4-ethylphenyl)-3-methylpiperidine-3-carboxylic acid
CID 117011718

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine (CID 117012470) is 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine is CCc1ccc(N2CCC(CN)(N(C)C)C2)cc1.
What is the InChIKey of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is IKSVSBXFYORQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-13-5-7-14(8-6-13)18-10-9-15(11-16,12-18)17(2)3/h5-8H,4,9-12,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine?
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 247.39 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117012470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).