[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

C15H15ClFNO2 — CID 114847771

IUPAC[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-5-2-10(8-18)6-15(14)20-9-11-3-4-12(16)7-13(11)17/h2-7H,8-9,18H2,1H3
InChIKeyIELSSOQFJFHPMA-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

About [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine

[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (PubChem CID 114847771) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
PubChem CID114847771
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
SMILESCOc1ccc(CN)cc1OCc1ccc(Cl)cc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-5-2-10(8-18)6-15(14)20-9-11-3-4-12(16)7-13(11)17/h2-7H,8-9,18H2,1H3
InChIKeyIELSSOQFJFHPMA-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102876040
[3-chloro-4-[(4-chloro-2-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 114847764
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
2-[[5-(bromomethyl)-2-methoxyphenoxy]methyl]-4-chloro-1-fluorobenzene
CID 103047043
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982659
[3-[2-(2,5-dichlorophenoxy)ethoxy]-4-methoxyphenyl]methanamine
CID 22682500
[3-[(2,4-difluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 62198124
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
3-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]propan-1-amine
CID 170879087

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The IUPAC name of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine (CID 114847771) is [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine.
What is the SMILES notation for [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The canonical SMILES for [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is COc1ccc(CN)cc1OCc1ccc(Cl)cc1F.
What is the InChIKey of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
The InChIKey is IELSSOQFJFHPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-5-2-10(8-18)6-15(14)20-9-11-3-4-12(16)7-13(11)17/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine?
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine has a molecular weight of 295.74 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine is sourced from PubChem (CID 114847771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).