[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine

C14H13F2NO — CID 43554727

IUPAC[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-4-12(7-14(13)16)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyQUOFVXNFZMUJJS-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.00
Rot. Bonds4

About [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine

[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine (PubChem CID 43554727) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
PubChem CID43554727
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H13F2NO/c15-13-5-4-12(7-14(13)16)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2
InChIKeyQUOFVXNFZMUJJS-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
[4-[(3,4-difluorophenyl)methoxy]-2-fluorophenyl]methanamine
CID 82919254
3-[(3,4-difluorophenoxy)methyl]benzenecarbothioamide
CID 43554777
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
[6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 106908225
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
[3-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanamine
CID 106485119
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
[2-fluoro-5-[[3-(methoxymethyl)phenoxy]methyl]phenyl]methanamine
CID 107879028
[5-[(3,4-difluorophenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 55077160

Frequently Asked Questions

What is the IUPAC name of [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine (CID 43554727) is [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine is NCc1cccc(COc2ccc(F)c(F)c2)c1.
What is the InChIKey of [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine?
The InChIKey is QUOFVXNFZMUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-13-5-4-12(7-14(13)16)18-9-11-3-1-2-10(6-11)8-17/h1-7H,8-9,17H2.
What are the key properties of [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine?
[3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine has a molecular weight of 249.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,4-difluorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 43554727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).