N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline

C15H15ClFNO — CID 63516051

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
SMILESCc1ccc(Cl)c(OCCNc2cccc(F)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-11-5-6-14(16)15(9-11)19-8-7-18-13-4-2-3-12(17)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyRTVDSZGDNIMJIC-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.28
Rot. Bonds5

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline

N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline (PubChem CID 63516051) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
PubChem CID63516051
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline
SMILESCc1ccc(Cl)c(OCCNc2cccc(F)c2)c1
InChIInChI=1S/C15H15ClFNO/c1-11-5-6-14(16)15(9-11)19-8-7-18-13-4-2-3-12(17)10-13/h2-6,9-10,18H,7-8H2,1H3
InChIKeyRTVDSZGDNIMJIC-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromo-4-methylphenoxy)ethyl]-3-fluoroaniline
CID 63517825
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
N-[2-(4-bromo-2,5-dichlorophenoxy)ethyl]-3-methylaniline
CID 107661398
N-[2-(2,4-dichlorophenoxy)ethyl]-3-methylaniline
CID 54796172
3-fluoro-N-[2-(2,4,6-trichlorophenoxy)ethyl]aniline
CID 63505215
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
3-fluoro-N-[2-(2,4,6-trimethylphenoxy)ethyl]aniline
CID 63515360
3-chloro-N-[2-(2,5-dimethylphenoxy)ethyl]-4-fluoroaniline
CID 54798350
3-chloro-N-[2-(2,5-dichlorophenoxy)ethyl]aniline
CID 63505403
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-2-amine
CID 2865567
3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
CID 63506410

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline (CID 63516051) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline is Cc1ccc(Cl)c(OCCNc2cccc(F)c2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline?
The InChIKey is RTVDSZGDNIMJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-11-5-6-14(16)15(9-11)19-8-7-18-13-4-2-3-12(17)10-13/h2-6,9-10,18H,7-8H2,1H3.
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline has a molecular weight of 279.74 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-fluoroaniline is sourced from PubChem (CID 63516051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).