2-chloro-5-(1-phenylethoxy)aniline

C14H14ClNO — CID 58022217

IUPAC2-chloro-5-(1-phenylethoxy)aniline
SMILESCC(Oc1ccc(Cl)c(N)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,16H2,1H3
InChIKeyXWEFXIJFTMZZFN-UHFFFAOYSA-N
MW247.73 g/mol
LogP4.06
Rot. Bonds3

About 2-chloro-5-(1-phenylethoxy)aniline

2-chloro-5-(1-phenylethoxy)aniline (PubChem CID 58022217) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-5-(1-phenylethoxy)aniline.

Molecular Properties

Compound Name2-chloro-5-(1-phenylethoxy)aniline
PubChem CID58022217
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-chloro-5-(1-phenylethoxy)aniline
SMILESCC(Oc1ccc(Cl)c(N)c1)c1ccccc1
InChIInChI=1S/C14H14ClNO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,16H2,1H3
InChIKeyXWEFXIJFTMZZFN-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
CID 82726969
2-chloro-5-propan-2-yloxyaniline
CID 39237829
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094
2-chloro-5-methyl-4-(1-phenylethoxy)aniline
CID 115555256
1-phenylethyl 3-amino-4-chlorobenzoate
CID 60716535
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
4-chloro-7-(1-phenylethoxy)quinoline
CID 141359583
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
2-chloro-4-(1-phenylpropoxy)aniline
CID 89382790
4-(1-phenoxyethyl)aniline
CID 61262602
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
4-chloro-5-fluoro-6-(1-phenylethoxy)benzene-1,3-diamine
CID 103553678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-phenylethoxy)aniline?
The IUPAC name of 2-chloro-5-(1-phenylethoxy)aniline (CID 58022217) is 2-chloro-5-(1-phenylethoxy)aniline.
What is the SMILES notation for 2-chloro-5-(1-phenylethoxy)aniline?
The canonical SMILES for 2-chloro-5-(1-phenylethoxy)aniline is CC(Oc1ccc(Cl)c(N)c1)c1ccccc1.
What is the InChIKey of 2-chloro-5-(1-phenylethoxy)aniline?
The InChIKey is XWEFXIJFTMZZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,16H2,1H3.
What are the key properties of 2-chloro-5-(1-phenylethoxy)aniline?
2-chloro-5-(1-phenylethoxy)aniline has a molecular weight of 247.73 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-phenylethoxy)aniline is sourced from PubChem (CID 58022217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).