1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C14H23N3 — CID 63166588

IUPAC1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(c1cccc(N)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(12-5-4-6-13(15)9-12)17-8-7-14(10-17)16(2)3/h4-6,9,11,14H,7-8,10,15H2,1-3H3
InChIKeyFKFALKUJACBNSK-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.97
Rot. Bonds3

About 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166588) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166588
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCC(c1cccc(N)c1)N1CCC(N(C)C)C1
InChIInChI=1S/C14H23N3/c1-11(12-5-4-6-13(15)9-12)17-8-7-14(10-17)16(2)3/h4-6,9,11,14H,7-8,10,15H2,1-3H3
InChIKeyFKFALKUJACBNSK-UHFFFAOYSA-N
XLogP1.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-aminophenyl)ethyl]pyrrolidine-3,4-diol
CID 106667852
3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
CID 61262194
3-[1-(3,5-dimethylpiperidin-1-yl)ethyl]aniline
CID 61263126
3-[1-[4-(methoxymethyl)piperidin-1-yl]ethyl]aniline
CID 63973619
N-[1-[1-(3-aminophenyl)ethyl]pyrrolidin-3-yl]acetamide
CID 113402120
3-[1-(3,4-dimethylpiperazin-1-yl)ethyl]aniline
CID 63603446
3-[1-(azepan-1-yl)ethyl]aniline
CID 61262195
3-[1-(2-methylmorpholin-4-yl)ethyl]aniline
CID 61262196
[4-[1-(3-aminophenyl)ethyl]-6-methylmorpholin-2-yl]methanol
CID 102932218
3-[1-(1,4-oxazepan-4-yl)ethyl]aniline
CID 62987222
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
3-[1-(3-azaspiro[5.5]undecan-3-yl)ethyl]aniline
CID 62937705

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166588) is 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CC(c1cccc(N)c1)N1CCC(N(C)C)C1.
What is the InChIKey of 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is FKFALKUJACBNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(12-5-4-6-13(15)9-12)17-8-7-14(10-17)16(2)3/h4-6,9,11,14H,7-8,10,15H2,1-3H3.
What are the key properties of 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 233.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).