4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline

C17H23N3O — CID 61450798

IUPAC4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
SMILESCCN(CCCOc1ccc(N)cc1)Cc1ccncc1
InChIInChI=1S/C17H23N3O/c1-2-20(14-15-8-10-19-11-9-15)12-3-13-21-17-6-4-16(18)5-7-17/h4-11H,2-3,12-14,18H2,1H3
InChIKeyIMJFZFIXPPYTAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.95
Rot. Bonds8

About 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline

4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline (PubChem CID 61450798) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline.

Molecular Properties

Compound Name4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
PubChem CID61450798
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline
SMILESCCN(CCCOc1ccc(N)cc1)Cc1ccncc1
InChIInChI=1S/C17H23N3O/c1-2-20(14-15-8-10-19-11-9-15)12-3-13-21-17-6-4-16(18)5-7-17/h4-11H,2-3,12-14,18H2,1H3
InChIKeyIMJFZFIXPPYTAH-UHFFFAOYSA-N
XLogP2.95
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
8-[4-(diethylaminomethyl)phenoxy]-N,N-diethyloctan-1-amine
CID 46890082
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
4-[[ethyl(octyl)amino]methyl]aniline
CID 43458886
4-[[decyl(ethyl)amino]methyl]aniline
CID 63532932
N'-ethyl-N'-[(4-propoxyphenyl)methyl]ethane-1,2-diamine
CID 114231048
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
N,N-dibutyl-6-[4-(diethylaminomethyl)phenoxy]hexan-1-amine
CID 46890024
N,N-dibutyl-10-[4-(diethylaminomethyl)phenoxy]decan-1-amine
CID 46890174
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
N-[3-[4-(aminomethyl)phenoxy]propyl]-N,2-diethylbutan-1-amine
CID 43588416
1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552

Frequently Asked Questions

What is the IUPAC name of 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline?
The IUPAC name of 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline (CID 61450798) is 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline.
What is the SMILES notation for 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline?
The canonical SMILES for 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline is CCN(CCCOc1ccc(N)cc1)Cc1ccncc1.
What is the InChIKey of 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline?
The InChIKey is IMJFZFIXPPYTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-20(14-15-8-10-19-11-9-15)12-3-13-21-17-6-4-16(18)5-7-17/h4-11H,2-3,12-14,18H2,1H3.
What are the key properties of 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline?
4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline has a molecular weight of 285.39 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[ethyl(pyridin-4-ylmethyl)amino]propoxy]aniline is sourced from PubChem (CID 61450798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).