3-(3-chlorophenoxy)-5-propan-2-yloxyaniline

C15H16ClNO2 — CID 80748608

IUPAC3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-10(2)18-14-7-12(17)8-15(9-14)19-13-5-3-4-11(16)6-13/h3-10H,17H2,1-2H3
InChIKeyYWADUCGNVLOBST-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.50
Rot. Bonds4

About 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline

3-(3-chlorophenoxy)-5-propan-2-yloxyaniline (PubChem CID 80748608) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
PubChem CID80748608
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-(3-chlorophenoxy)-5-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(N)cc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H16ClNO2/c1-10(2)18-14-7-12(17)8-15(9-14)19-13-5-3-4-11(16)6-13/h3-10H,17H2,1-2H3
InChIKeyYWADUCGNVLOBST-UHFFFAOYSA-N
XLogP4.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenoxy)-5-methoxyaniline
CID 80748712
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
3-(3-ethylphenoxy)-5-propan-2-yloxyaniline
CID 80748281
3-[(3-chlorophenyl)methoxy]-5-propan-2-yloxyaniline
CID 80747976
3-(3-chlorophenoxy)-5-fluoroaniline
CID 80752304
3-propan-2-yloxy-5-(4-propan-2-ylphenoxy)aniline
CID 80753185
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800
3-[1-(3-chlorophenoxy)ethyl]aniline
CID 61263691
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
3-[(3-methoxyphenyl)methoxy]-5-propan-2-yloxyaniline
CID 80752679

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline?
The IUPAC name of 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline (CID 80748608) is 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline.
What is the SMILES notation for 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline?
The canonical SMILES for 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline is CC(C)Oc1cc(N)cc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline?
The InChIKey is YWADUCGNVLOBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10(2)18-14-7-12(17)8-15(9-14)19-13-5-3-4-11(16)6-13/h3-10H,17H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline?
3-(3-chlorophenoxy)-5-propan-2-yloxyaniline has a molecular weight of 277.75 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-5-propan-2-yloxyaniline is sourced from PubChem (CID 80748608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).