4-chloro-3-[(2-ethylphenoxy)methyl]aniline

C15H16ClNO — CID 43364206

IUPAC4-chloro-3-[(2-ethylphenoxy)methyl]aniline
SMILESCCc1ccccc1OCc1cc(N)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(17)7-8-14(12)16/h3-9H,2,10,17H2,1H3
InChIKeyRRRVWRXAAKBBFF-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.06
Rot. Bonds4

About 4-chloro-3-[(2-ethylphenoxy)methyl]aniline

4-chloro-3-[(2-ethylphenoxy)methyl]aniline (PubChem CID 43364206) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-chloro-3-[(2-ethylphenoxy)methyl]aniline.

Molecular Properties

Compound Name4-chloro-3-[(2-ethylphenoxy)methyl]aniline
PubChem CID43364206
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-chloro-3-[(2-ethylphenoxy)methyl]aniline
SMILESCCc1ccccc1OCc1cc(N)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(17)7-8-14(12)16/h3-9H,2,10,17H2,1H3
InChIKeyRRRVWRXAAKBBFF-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.06
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

4-chloro-3-[(2-methylsulfanylphenoxy)methyl]aniline
CID 63649476
3-[(2-butan-2-ylphenoxy)methyl]-4-chloroaniline
CID 43350156
2-chloro-1-[(2-ethylphenoxy)methyl]-4-methylbenzene
CID 106870271
3-[(2-chlorophenyl)methoxy]-4-propylaniline
CID 154112954
4-chloro-3-[(2,6-dimethylphenoxy)methyl]aniline
CID 43350124
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
3-chloro-4-[(2-ethylphenoxy)methyl]benzenecarbothioamide
CID 102666566
3-[(2-ethylphenoxy)methyl]-2-methylaniline
CID 43509418
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
4-chloro-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]aniline
CID 43350132
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
4-chloro-3-[(4-propylphenoxy)methyl]aniline
CID 55191486

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-ethylphenoxy)methyl]aniline?
The IUPAC name of 4-chloro-3-[(2-ethylphenoxy)methyl]aniline (CID 43364206) is 4-chloro-3-[(2-ethylphenoxy)methyl]aniline.
What is the SMILES notation for 4-chloro-3-[(2-ethylphenoxy)methyl]aniline?
The canonical SMILES for 4-chloro-3-[(2-ethylphenoxy)methyl]aniline is CCc1ccccc1OCc1cc(N)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-ethylphenoxy)methyl]aniline?
The InChIKey is RRRVWRXAAKBBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-11-5-3-4-6-15(11)18-10-12-9-13(17)7-8-14(12)16/h3-9H,2,10,17H2,1H3.
What are the key properties of 4-chloro-3-[(2-ethylphenoxy)methyl]aniline?
4-chloro-3-[(2-ethylphenoxy)methyl]aniline has a molecular weight of 261.75 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-ethylphenoxy)methyl]aniline is sourced from PubChem (CID 43364206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).