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

C14H15ClN2O — CID 29006391

IUPAC3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
SMILESNc1ccc(OCCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-13-10-12(16)3-4-14(13)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2
InChIKeyXQDIJZIQKHVTTB-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.33
Rot. Bonds5

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

3-chloro-4-(3-pyridin-4-ylpropoxy)aniline (PubChem CID 29006391) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
PubChem CID29006391
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
SMILESNc1ccc(OCCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c15-13-10-12(16)3-4-14(13)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2
InChIKeyXQDIJZIQKHVTTB-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)benzenecarbothioamide
CID 63087479
5-chloro-2-(3-pyridin-4-ylpropoxy)aniline
CID 29006395
2-chloro-5-methyl-4-(3-pyridin-4-ylpropoxy)aniline
CID 115555280
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
4-ethoxy-3-(3-pyridin-4-ylpropoxymethyl)aniline
CID 43260207
3-chloro-4-pentoxyaniline;hydrochloride
CID 134110655
3-chloro-4-nonoxyaniline
CID 43129005
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
3-chloro-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]aniline
CID 112587104
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline?
The IUPAC name of 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline (CID 29006391) is 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline.
What is the SMILES notation for 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline?
The canonical SMILES for 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline is Nc1ccc(OCCCc2ccncc2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline?
The InChIKey is XQDIJZIQKHVTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-10-12(16)3-4-14(13)18-9-1-2-11-5-7-17-8-6-11/h3-8,10H,1-2,9,16H2.
What are the key properties of 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline?
3-chloro-4-(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 3-chloro-4-(3-pyridin-4-ylpropoxy)aniline is sourced from PubChem (CID 29006391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).