4-(3-chloropropoxy)-2-methoxyaniline

C10H14ClNO2 — CID 144945776

IUPAC4-(3-chloropropoxy)-2-methoxyaniline
SMILESCOc1cc(OCCCCl)ccc1N
InChIInChI=1S/C10H14ClNO2/c1-13-10-7-8(3-4-9(10)12)14-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyPGMPUOXYFOTGFQ-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.29
Rot. Bonds5

About 4-(3-chloropropoxy)-2-methoxyaniline

4-(3-chloropropoxy)-2-methoxyaniline (PubChem CID 144945776) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-(3-chloropropoxy)-2-methoxyaniline.

Molecular Properties

Compound Name4-(3-chloropropoxy)-2-methoxyaniline
PubChem CID144945776
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-(3-chloropropoxy)-2-methoxyaniline
SMILESCOc1cc(OCCCCl)ccc1N
InChIInChI=1S/C10H14ClNO2/c1-13-10-7-8(3-4-9(10)12)14-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3
InChIKeyPGMPUOXYFOTGFQ-UHFFFAOYSA-N
XLogP2.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropoxy)-2-methoxyaniline?
The IUPAC name of 4-(3-chloropropoxy)-2-methoxyaniline (CID 144945776) is 4-(3-chloropropoxy)-2-methoxyaniline.
What is the SMILES notation for 4-(3-chloropropoxy)-2-methoxyaniline?
The canonical SMILES for 4-(3-chloropropoxy)-2-methoxyaniline is COc1cc(OCCCCl)ccc1N.
What is the InChIKey of 4-(3-chloropropoxy)-2-methoxyaniline?
The InChIKey is PGMPUOXYFOTGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-13-10-7-8(3-4-9(10)12)14-6-2-5-11/h3-4,7H,2,5-6,12H2,1H3.
What are the key properties of 4-(3-chloropropoxy)-2-methoxyaniline?
4-(3-chloropropoxy)-2-methoxyaniline has a molecular weight of 215.68 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropoxy)-2-methoxyaniline is sourced from PubChem (CID 144945776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).