[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine

C14H13ClFNO — CID 63880371

IUPAC[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO/c15-13-7-12(5-6-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyIJZIXGRECHNRMO-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.52
Rot. Bonds4

About [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine

[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine (PubChem CID 63880371) has the molecular formula C14H13ClFNO and a molecular weight of 265.72 g/mol. Its IUPAC name is [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
PubChem CID63880371
Molecular FormulaC14H13ClFNO
Molecular Weight265.72 g/mol
Exact Mass265.07
IUPAC Name[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1ccc(COc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO/c15-13-7-12(5-6-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2
InChIKeyIJZIXGRECHNRMO-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
3-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]prop-2-yn-1-amine
CID 103040611
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
[4-[(3,4-dichlorophenyl)methoxy]phenyl]methanamine
CID 22687493
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
CID 43554727
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
2-chloro-6-[(3-chloro-4-fluorophenoxy)methyl]pyridine
CID 79040362
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63877646
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine (CID 63880371) is [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine is NCc1ccc(COc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is IJZIXGRECHNRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO/c15-13-7-12(5-6-14(13)16)18-9-11-3-1-10(8-17)2-4-11/h1-7H,8-9,17H2.
What are the key properties of [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine?
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 265.72 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 63880371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).