[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine

C15H15ClFNO — CID 172653787

IUPAC[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
SMILESCCOc1ccc(CN)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-8H,2,9,18H2,1H3
InChIKeyNJMADFVGGLWOAJ-UHFFFAOYSA-N
MW279.74 g/mol
LogP4.00
Rot. Bonds4

About [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine

[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine (PubChem CID 172653787) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
PubChem CID172653787
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
SMILESCCOc1ccc(CN)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H15ClFNO/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-8H,2,9,18H2,1H3
InChIKeyNJMADFVGGLWOAJ-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chloro-5-fluorophenyl)-4-propan-2-yloxyphenyl]methanamine;hydrochloride
CID 172653793
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
CID 172653782
[2-(2-chloro-5-fluorophenyl)phenyl]methanamine
CID 105395671
[2-(4-chloro-2,5-dimethylphenyl)-4-fluorophenyl]methanamine
CID 114060514
[2-(2-chloro-5-fluorophenyl)-4-fluorophenyl]methanol
CID 172653766
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
1-[2-(2-chloro-5-fluorophenyl)-4-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 172653781
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
2-[(2-chloro-5-fluorophenyl)methylsulfanyl]-4-ethoxyaniline
CID 102616343
[2-(2,5-dichlorophenyl)-5-fluorophenyl]methanamine
CID 104729171
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine?
The IUPAC name of [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine (CID 172653787) is [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine.
What is the SMILES notation for [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine?
The canonical SMILES for [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine is CCOc1ccc(CN)c(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine?
The InChIKey is NJMADFVGGLWOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-8H,2,9,18H2,1H3.
What are the key properties of [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine?
[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine has a molecular weight of 279.74 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine is sourced from PubChem (CID 172653787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).