4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline

C15H16ClNO — CID 43519712

IUPAC4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
SMILESNc1ccc(CCOCc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12/h1-8H,9-11,17H2
InChIKeyCCYBMBACMUDUCW-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.68
Rot. Bonds5

About 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline

4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline (PubChem CID 43519712) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
PubChem CID43519712
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline
SMILESNc1ccc(CCOCc2ccccc2Cl)cc1
InChIInChI=1S/C15H16ClNO/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12/h1-8H,9-11,17H2
InChIKeyCCYBMBACMUDUCW-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-[2-[2-[2-[2-(2-chlorophenyl)ethoxy]ethoxy]ethoxy]ethyl]benzene
CID 142632272
3-[(2-chlorophenyl)methoxy]propanal
CID 63038724
1-chloro-2-(2-methylsulfanylethoxymethyl)benzene
CID 104863774
3-[(2-chlorophenyl)methoxymethyl]-5-fluoroaniline
CID 112646463
N-[2-(4-aminophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 61219066
4-(4-phenylbutoxymethyl)aniline
CID 114332885
3-[(2-chlorophenyl)methoxy]-N'-hydroxypropanimidamide
CID 24694095
2-[2-[(2-chloro-4-fluorophenyl)methoxy]ethyl]aniline
CID 102902199
3-[(2-chlorophenyl)methoxy]propanehydrazide
CID 63586466
4-[(2-chlorophenyl)methoxy]butan-2-one
CID 62030218
2-[4-[2-[(2-chlorophenyl)methoxy]ethoxy]phenyl]acetonitrile
CID 43289444
2-[2-[(4-chloro-3-fluorophenyl)methoxy]ethyl]aniline
CID 107878129

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline?
The IUPAC name of 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline (CID 43519712) is 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline is Nc1ccc(CCOCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline?
The InChIKey is CCYBMBACMUDUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c16-15-4-2-1-3-13(15)11-18-10-9-12-5-7-14(17)8-6-12/h1-8H,9-11,17H2.
What are the key properties of 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline?
4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 43519712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).