4-(1-aminoethyl)-N-ethyl-N-propylaniline

C13H22N2 — CID 43268863

IUPAC4-(1-aminoethyl)-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H22N2/c1-4-10-15(5-2)13-8-6-12(7-9-13)11(3)14/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyZHFGCSPXDBYWIV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.94
Rot. Bonds5

About 4-(1-aminoethyl)-N-ethyl-N-propylaniline

4-(1-aminoethyl)-N-ethyl-N-propylaniline (PubChem CID 43268863) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-ethyl-N-propylaniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-ethyl-N-propylaniline
PubChem CID43268863
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-(1-aminoethyl)-N-ethyl-N-propylaniline
SMILESCCCN(CC)c1ccc(C(C)N)cc1
InChIInChI=1S/C13H22N2/c1-4-10-15(5-2)13-8-6-12(7-9-13)11(3)14/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyZHFGCSPXDBYWIV-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-4-propan-2-yl-N-propylaniline
CID 145169701
3-[4-[(1R)-1-aminoethyl]-N-ethylanilino]propan-1-ol
CID 104861799
N'-[4-[(1S)-1-aminoethyl]phenyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102994146
4-[(1R)-1-aminoethyl]-N-ethyl-N-(2-methylbutyl)aniline
CID 79477951
(1S,2S)-1,2-bis[4-(dipropylamino)phenyl]ethane-1,2-diamine
CID 67291446
3-[4-(1-aminoethyl)-N-ethylanilino]-2-methylpropanenitrile
CID 54988524
N'-ethyl-N'-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 28772434
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
4-(1-aminoethyl)-N,N-dimethylaniline
CID 14341956
4-[(1R)-1-aminoethyl]-N,N-dimethylaniline
CID 14341957
4-[(1R)-1-aminoethyl]-N-ethyl-N-propan-2-ylaniline
CID 78936154
4-[(1R)-1-aminoethyl]-N,N-bis(2-methoxyethyl)aniline
CID 55189419

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-propylaniline?
The IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-propylaniline (CID 43268863) is 4-(1-aminoethyl)-N-ethyl-N-propylaniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-ethyl-N-propylaniline?
The canonical SMILES for 4-(1-aminoethyl)-N-ethyl-N-propylaniline is CCCN(CC)c1ccc(C(C)N)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-ethyl-N-propylaniline?
The InChIKey is ZHFGCSPXDBYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-10-15(5-2)13-8-6-12(7-9-13)11(3)14/h6-9,11H,4-5,10,14H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-ethyl-N-propylaniline?
4-(1-aminoethyl)-N-ethyl-N-propylaniline has a molecular weight of 206.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-ethyl-N-propylaniline is sourced from PubChem (CID 43268863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).