N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline

C21H20ClNO2 — CID 126124597

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
SMILESCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H20ClNO2/c1-2-24-21-13-8-16(14-20(21)22)15-23-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-14,23H,2,15H2,1H3
InChIKeyOSPXBZOVVGPRLY-UHFFFAOYSA-N
MW353.85 g/mol
LogP6.14
Rot. Bonds7

About N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline

N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline (PubChem CID 126124597) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
PubChem CID126124597
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
SMILESCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H20ClNO2/c1-2-24-21-13-8-16(14-20(21)22)15-23-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-14,23H,2,15H2,1H3
InChIKeyOSPXBZOVVGPRLY-UHFFFAOYSA-N
XLogP6.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 2992439
N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126118107
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-methoxyaniline
CID 126121410
2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[(2-ethoxynaphthalen-1-yl)methyl]-4-phenoxyaniline
CID 126118729
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
4-phenoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54796698
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
N-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methyl]-4-phenoxyaniline
CID 126128627

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline (CID 126124597) is N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline is CCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline?
The InChIKey is OSPXBZOVVGPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClNO2/c1-2-24-21-13-8-16(14-20(21)22)15-23-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-14,23H,2,15H2,1H3.
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline?
N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline has a molecular weight of 353.85 g/mol, XLogP of 6.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline is sourced from PubChem (CID 126124597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).