[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine

C15H16FNO2 — CID 102939558

IUPAC[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(OCOCc2ccccc2)c1
InChIInChI=1S/C15H16FNO2/c16-14-6-13(9-17)7-15(8-14)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyVLZZJIXCKXEWRQ-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.84
Rot. Bonds6

About [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine

[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine (PubChem CID 102939558) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
PubChem CID102939558
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(OCOCc2ccccc2)c1
InChIInChI=1S/C15H16FNO2/c16-14-6-13(9-17)7-15(8-14)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyVLZZJIXCKXEWRQ-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanol
CID 102939888
[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
CID 106704805
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
(3-methoxy-5-phenylmethoxyphenyl)methanamine
CID 103565951
5-fluoro-2-(phenylmethoxymethoxy)aniline
CID 102939313
[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
3-[3-fluoro-5-(phenylmethoxymethyl)phenyl]prop-2-yn-1-amine
CID 79706894
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
3-fluoro-5-phenylmethoxybenzamide
CID 155798135

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine (CID 102939558) is [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine is NCc1cc(F)cc(OCOCc2ccccc2)c1.
What is the InChIKey of [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine?
The InChIKey is VLZZJIXCKXEWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-6-13(9-17)7-15(8-14)19-11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2.
What are the key properties of [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine?
[3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine has a molecular weight of 261.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(phenylmethoxymethoxy)phenyl]methanamine is sourced from PubChem (CID 102939558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).