5-chloro-2-(3-pyridin-4-ylpropoxy)aniline

C14H15ClN2O — CID 29006395

IUPAC5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
SMILESNc1cc(Cl)ccc1OCCCc1ccncc1
InChIInChI=1S/C14H15ClN2O/c15-12-3-4-14(13(16)10-12)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2
InChIKeyHGSIOVHWDBSSPS-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.33
Rot. Bonds5

About 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline

5-chloro-2-(3-pyridin-4-ylpropoxy)aniline (PubChem CID 29006395) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
PubChem CID29006395
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
SMILESNc1cc(Cl)ccc1OCCCc1ccncc1
InChIInChI=1S/C14H15ClN2O/c15-12-3-4-14(13(16)10-12)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2
InChIKeyHGSIOVHWDBSSPS-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
4-(3-pyridin-4-ylpropoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748378
5-chloro-2-decoxyaniline
CID 55187694
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674
(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 55188616
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
(1R)-1-[3-fluoro-4-(3-pyridin-4-ylpropoxy)phenyl]ethanamine
CID 29006438

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline?
The IUPAC name of 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline (CID 29006395) is 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline.
What is the SMILES notation for 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline?
The canonical SMILES for 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline is Nc1cc(Cl)ccc1OCCCc1ccncc1.
What is the InChIKey of 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline?
The InChIKey is HGSIOVHWDBSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-3-4-14(13(16)10-12)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2.
What are the key properties of 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline?
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline has a molecular weight of 262.74 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-pyridin-4-ylpropoxy)aniline is sourced from PubChem (CID 29006395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).