2-[3-(3-chlorophenoxy)propoxy]aniline

C15H16ClNO2 — CID 43365954

IUPAC2-[3-(3-chlorophenoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-12-5-3-6-13(11-12)18-9-4-10-19-15-8-2-1-7-14(15)17/h1-3,5-8,11H,4,9-10,17H2
InChIKeyCKZGAAHRYBMAEU-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.77
Rot. Bonds6

About 2-[3-(3-chlorophenoxy)propoxy]aniline

2-[3-(3-chlorophenoxy)propoxy]aniline (PubChem CID 43365954) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)propoxy]aniline
PubChem CID43365954
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[3-(3-chlorophenoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOc1cccc(Cl)c1
InChIInChI=1S/C15H16ClNO2/c16-12-5-3-6-13(11-12)18-9-4-10-19-15-8-2-1-7-14(15)17/h1-3,5-8,11H,4,9-10,17H2
InChIKeyCKZGAAHRYBMAEU-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.77
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

1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
2-[3-(3-chlorophenyl)sulfanylpropoxy]aniline
CID 62645754
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
3-(3-chlorophenoxy)propan-1-amine;ethane
CID 156874591
1-chloro-3-(5-chloropentoxy)benzene
CID 43348402
5-(3-chlorophenoxy)pentan-1-amine;hydrochloride
CID 86262412
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
1-(8-bromooctoxy)-3-chlorobenzene
CID 131871951
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)propoxy]aniline?
The IUPAC name of 2-[3-(3-chlorophenoxy)propoxy]aniline (CID 43365954) is 2-[3-(3-chlorophenoxy)propoxy]aniline.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)propoxy]aniline?
The canonical SMILES for 2-[3-(3-chlorophenoxy)propoxy]aniline is Nc1ccccc1OCCCOc1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)propoxy]aniline?
The InChIKey is CKZGAAHRYBMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-12-5-3-6-13(11-12)18-9-4-10-19-15-8-2-1-7-14(15)17/h1-3,5-8,11H,4,9-10,17H2.
What are the key properties of 2-[3-(3-chlorophenoxy)propoxy]aniline?
2-[3-(3-chlorophenoxy)propoxy]aniline has a molecular weight of 277.75 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)propoxy]aniline is sourced from PubChem (CID 43365954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).