3-(1-aminopropan-2-yl)-N,N-diethylaniline

C13H22N2 — CID 117295299

IUPAC3-(1-aminopropan-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(C(C)CN)c1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(9-13)11(3)10-14/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyFWYLOJHHHOMVNB-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.60
Rot. Bonds5

About 3-(1-aminopropan-2-yl)-N,N-diethylaniline

3-(1-aminopropan-2-yl)-N,N-diethylaniline (PubChem CID 117295299) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-(1-aminopropan-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name3-(1-aminopropan-2-yl)-N,N-diethylaniline
PubChem CID117295299
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-(1-aminopropan-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(C(C)CN)c1
InChIInChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(9-13)11(3)10-14/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyFWYLOJHHHOMVNB-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminopropan-2-yl)-N,N-diethylaniline 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

2-amino-1-[3-(diethylamino)phenyl]ethanol
CID 117297990
3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline
CID 70890902
2-[3-(fluoromethyl)phenyl]propan-1-amine
CID 84652810
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
3-(2-aminoethyl)-N,N-diethylaniline
CID 82402430
1-[3-(diethylamino)phenyl]-2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)ethanol
CID 162347694
[3-(diethylamino)phenyl]-triphenylphosphanium
CID 159197877
3-(1-aminopropan-2-yl)benzoic acid
CID 55255769
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
3-(4-aminobutyl)-N,N-diethylaniline
CID 117314931
3-[[3-(diethylamino)phenyl]-ethyl-methyl-λ4-sulfanyl]-N,N-diethylaniline
CID 145022587

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropan-2-yl)-N,N-diethylaniline?
The IUPAC name of 3-(1-aminopropan-2-yl)-N,N-diethylaniline (CID 117295299) is 3-(1-aminopropan-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 3-(1-aminopropan-2-yl)-N,N-diethylaniline?
The canonical SMILES for 3-(1-aminopropan-2-yl)-N,N-diethylaniline is CCN(CC)c1cccc(C(C)CN)c1.
What is the InChIKey of 3-(1-aminopropan-2-yl)-N,N-diethylaniline?
The InChIKey is FWYLOJHHHOMVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(5-2)13-8-6-7-12(9-13)11(3)10-14/h6-9,11H,4-5,10,14H2,1-3H3.
What are the key properties of 3-(1-aminopropan-2-yl)-N,N-diethylaniline?
3-(1-aminopropan-2-yl)-N,N-diethylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropan-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 117295299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).