3-chloro-2-(3-phenoxypropoxy)aniline

C15H16ClNO2 — CID 107715829

IUPAC3-chloro-2-(3-phenoxypropoxy)aniline
SMILESNc1cccc(Cl)c1OCCCOc1ccccc1
InChIInChI=1S/C15H16ClNO2/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,17H2
InChIKeyYEZYFYIDKRMZNH-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.77
Rot. Bonds6

About 3-chloro-2-(3-phenoxypropoxy)aniline

3-chloro-2-(3-phenoxypropoxy)aniline (PubChem CID 107715829) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-chloro-2-(3-phenoxypropoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(3-phenoxypropoxy)aniline
PubChem CID107715829
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-chloro-2-(3-phenoxypropoxy)aniline
SMILESNc1cccc(Cl)c1OCCCOc1ccccc1
InChIInChI=1S/C15H16ClNO2/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,17H2
InChIKeyYEZYFYIDKRMZNH-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

3-chloro-2-(2-phenylethoxy)aniline
CID 26189150
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
3-chloro-2-propoxyaniline
CID 14618927
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
CID 107715982
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
3-chloro-2-(2,2-difluoro-2-phenylethoxy)aniline
CID 107716169
1-chloro-3-(3-phenoxypropoxy)benzene
CID 60665433
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
1,2-dichloro-3-(2-phenoxyethyl)benzene
CID 91220321
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
1-chloro-2-(3-phenoxypropyl)benzene
CID 174487660

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-phenoxypropoxy)aniline?
The IUPAC name of 3-chloro-2-(3-phenoxypropoxy)aniline (CID 107715829) is 3-chloro-2-(3-phenoxypropoxy)aniline.
What is the SMILES notation for 3-chloro-2-(3-phenoxypropoxy)aniline?
The canonical SMILES for 3-chloro-2-(3-phenoxypropoxy)aniline is Nc1cccc(Cl)c1OCCCOc1ccccc1.
What is the InChIKey of 3-chloro-2-(3-phenoxypropoxy)aniline?
The InChIKey is YEZYFYIDKRMZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-13-8-4-9-14(17)15(13)19-11-5-10-18-12-6-2-1-3-7-12/h1-4,6-9H,5,10-11,17H2.
What are the key properties of 3-chloro-2-(3-phenoxypropoxy)aniline?
3-chloro-2-(3-phenoxypropoxy)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 3-chloro-2-(3-phenoxypropoxy)aniline is sourced from PubChem (CID 107715829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).