3-chloro-2-(2-phenylethoxy)aniline

C14H14ClNO — CID 26189150

IUPAC3-chloro-2-(2-phenylethoxy)aniline
SMILESNc1cccc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyPAFHADNXDIMKBB-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.54
Rot. Bonds4

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

3-chloro-2-(2-phenylethoxy)aniline (PubChem CID 26189150) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-chloro-2-(2-phenylethoxy)aniline.

Molecular Properties

Compound Name3-chloro-2-(2-phenylethoxy)aniline
PubChem CID26189150
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name3-chloro-2-(2-phenylethoxy)aniline
SMILESNc1cccc(Cl)c1OCCc1ccccc1
InChIInChI=1S/C14H14ClNO/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyPAFHADNXDIMKBB-UHFFFAOYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.54
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

3-chloro-2-(3-phenoxypropoxy)aniline
CID 107715829
2-(2-aminoethoxy)-3-chloroaniline
CID 122439573
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
3-chloro-2-(2-fluoroethoxy)aniline
CID 107715740
3-chloro-2-propoxyaniline
CID 14618927
N-[[3-chloro-2-(2-phenylethoxy)phenyl]methyl]ethanamine
CID 115952890
4-(2-amino-6-chlorophenoxy)-2-methylbutan-2-ol
CID 107715982
1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene
CID 140972707
3-chloro-2-(2,2-difluoro-2-phenylethoxy)aniline
CID 107716169
3-chloro-2-[2-(1-methylimidazol-2-yl)ethoxy]aniline
CID 107716171
methyl 4-(2-amino-6-chlorophenoxy)butanoate
CID 107715861
4-(2-amino-6-chlorophenoxy)-2,2-dimethylbutanenitrile
CID 107715656

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-phenylethoxy)aniline?
The IUPAC name of 3-chloro-2-(2-phenylethoxy)aniline (CID 26189150) is 3-chloro-2-(2-phenylethoxy)aniline.
What is the SMILES notation for 3-chloro-2-(2-phenylethoxy)aniline?
The canonical SMILES for 3-chloro-2-(2-phenylethoxy)aniline is Nc1cccc(Cl)c1OCCc1ccccc1.
What is the InChIKey of 3-chloro-2-(2-phenylethoxy)aniline?
The InChIKey is PAFHADNXDIMKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-12-7-4-8-13(16)14(12)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2.
What are the key properties of 3-chloro-2-(2-phenylethoxy)aniline?
3-chloro-2-(2-phenylethoxy)aniline has a molecular weight of 247.73 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-phenylethoxy)aniline is sourced from PubChem (CID 26189150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).