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

C15H15ClFNO2 — CID 115951940

IUPAC[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2c(Cl)cccc2CN)cc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-7H,8-9,18H2,1H3
InChIKeyZNCRQFCQUZMNMZ-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

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

[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine (PubChem CID 115951940) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
PubChem CID115951940
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine
SMILESCOc1ccc(COc2c(Cl)cccc2CN)cc1F
InChIInChI=1S/C15H15ClFNO2/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-7H,8-9,18H2,1H3
InChIKeyZNCRQFCQUZMNMZ-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-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]methanamine
CID 115951928
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
[3-chloro-2-[(3-fluoro-4-nitrophenyl)methoxy]phenyl]methanamine
CID 115951977
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[2-[(3-fluoro-4-methoxyphenyl)methoxy]-3-methylphenyl]methanol
CID 115956147
[3-[(3-fluoro-4-methoxyphenyl)methoxy]-4-methoxyphenyl]methanamine
CID 43332360
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
[3-chloro-2-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanamine
CID 114345832
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine?
The IUPAC name of [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine (CID 115951940) is [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine?
The canonical SMILES for [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine is COc1ccc(COc2c(Cl)cccc2CN)cc1F.
What is the InChIKey of [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine?
The InChIKey is ZNCRQFCQUZMNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-6-5-10(7-13(14)17)9-20-15-11(8-18)3-2-4-12(15)16/h2-7H,8-9,18H2,1H3.
What are the key properties of [3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine?
[3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]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-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]methanamine is sourced from PubChem (CID 115951940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).