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

C14H14ClNO — CID 140509914

IUPAC2-chloro-3-(2-phenylethoxy)aniline
SMILESNc1cccc(OCCc2ccccc2)c1Cl
InChIInChI=1S/C14H14ClNO/c15-14-12(16)7-4-8-13(14)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyJIHGANAIZZNNSN-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.54
Rot. Bonds4

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

2-chloro-3-(2-phenylethoxy)aniline (PubChem CID 140509914) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-3-(2-phenylethoxy)aniline.

Molecular Properties

Compound Name2-chloro-3-(2-phenylethoxy)aniline
PubChem CID140509914
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name2-chloro-3-(2-phenylethoxy)aniline
SMILESNc1cccc(OCCc2ccccc2)c1Cl
InChIInChI=1S/C14H14ClNO/c15-14-12(16)7-4-8-13(14)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyJIHGANAIZZNNSN-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-(2-phenylethoxy)aniline
CID 26189150
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
2-methyl-4-(2-phenylethoxy)-5-propan-2-ylaniline
CID 65216960
3-phenylpropyl 3-amino-2-chlorobenzoate
CID 115936018
5-tert-butyl-2-(2-phenylethoxy)aniline
CID 54853306
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
potassium trifluoro-[2-(2-phenylethoxy)phenyl]boranuide
CID 63677023
3,8-bis(2-phenylethoxy)quinoline
CID 100915268
4-[2-(2-iodophenoxy)ethyl]aniline
CID 43519777
6-(2-phenylethoxy)pyridin-2-amine
CID 141303367

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-phenylethoxy)aniline?
The IUPAC name of 2-chloro-3-(2-phenylethoxy)aniline (CID 140509914) is 2-chloro-3-(2-phenylethoxy)aniline.
What is the SMILES notation for 2-chloro-3-(2-phenylethoxy)aniline?
The canonical SMILES for 2-chloro-3-(2-phenylethoxy)aniline is Nc1cccc(OCCc2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-3-(2-phenylethoxy)aniline?
The InChIKey is JIHGANAIZZNNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-14-12(16)7-4-8-13(14)17-10-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2.
What are the key properties of 2-chloro-3-(2-phenylethoxy)aniline?
2-chloro-3-(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 2-chloro-3-(2-phenylethoxy)aniline is sourced from PubChem (CID 140509914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).