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

C15H15ClFNO2 — CID 115982659

IUPAC[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFNO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(17)15(11)16/h2-7H,8-9,18H2,1H3
InChIKeyNPWSYUQNPGDSIO-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.53
Rot. Bonds5

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

[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (PubChem CID 115982659) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
PubChem CID115982659
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1OCc1cccc(F)c1Cl
InChIInChI=1S/C15H15ClFNO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(17)15(11)16/h2-7H,8-9,18H2,1H3
InChIKeyNPWSYUQNPGDSIO-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

[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
[2-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 115982692
[4-[(2,3-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686326
2-[3-chloro-4-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 115984038
[3-[(4-chloro-2-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 114847771
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
[3-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyphenyl]methanamine
CID 102615150
[3-chloro-4-[(3-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 102855702
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
4-[(2-fluorophenyl)methoxy]-3-methoxyaniline
CID 62109774
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The IUPAC name of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine (CID 115982659) is [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1OCc1cccc(F)c1Cl.
What is the InChIKey of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
The InChIKey is NPWSYUQNPGDSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-14-7-10(8-18)5-6-13(14)20-9-11-3-2-4-12(17)15(11)16/h2-7H,8-9,18H2,1H3.
What are the key properties of [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine?
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-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 [4-[(2-chloro-3-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine is sourced from PubChem (CID 115982659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).