N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline

C15H15ClFNO — CID 112651757

IUPACN-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-19-13-8-6-12(7-9-13)18-10-11-4-3-5-14(17)15(11)16/h3-9,18H,2,10H2,1H3
InChIKeyAWEFTVXSGQGTIQ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.49
Rot. Bonds5

About N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline

N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline (PubChem CID 112651757) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline.

Molecular Properties

Compound NameN-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
PubChem CID112651757
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC NameN-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline
SMILESCCOc1ccc(NCc2cccc(F)c2Cl)cc1
InChIInChI=1S/C15H15ClFNO/c1-2-19-13-8-6-12(7-9-13)18-10-11-4-3-5-14(17)15(11)16/h3-9,18H,2,10H2,1H3
InChIKeyAWEFTVXSGQGTIQ-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-3-fluorophenyl)methyl]-6-ethoxypyridin-3-amine
CID 112652175
N-[(5-chloro-2-fluorophenyl)methyl]-4-ethoxyaniline
CID 114841290
4-ethoxy-N-[(2-ethylphenyl)methyl]aniline
CID 62391033
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-difluoroaniline
CID 112651786
3-[(4-ethoxyanilino)methyl]-2-fluorobenzonitrile
CID 103913700
N-[(2-chloro-3-fluorophenyl)methyl]-3,4-dimethoxyaniline
CID 115982783
4-ethoxy-N-[[4-[(4-ethoxyanilino)methyl]-3-fluorophenyl]methyl]aniline
CID 132991407
N-[(3-chloro-2-fluorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115695866
1-(2-chloro-3-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112652213
3-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
CID 112652219
N-[(3-chloro-2-fluorophenyl)methyl]-4-ethoxy-3-fluoroaniline
CID 114487683

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline?
The IUPAC name of N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline (CID 112651757) is N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline.
What is the SMILES notation for N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline?
The canonical SMILES for N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline is CCOc1ccc(NCc2cccc(F)c2Cl)cc1.
What is the InChIKey of N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline?
The InChIKey is AWEFTVXSGQGTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-19-13-8-6-12(7-9-13)18-10-11-4-3-5-14(17)15(11)16/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline?
N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline has a molecular weight of 279.74 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-fluorophenyl)methyl]-4-ethoxyaniline is sourced from PubChem (CID 112651757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).