3-fluoro-2-(phenylmethoxymethyl)aniline

C14H14FNO — CID 63331645

IUPAC3-fluoro-2-(phenylmethoxymethyl)aniline
SMILESNc1cccc(F)c1COCc1ccccc1
InChIInChI=1S/C14H14FNO/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyQMBKWZOIUCZXCF-UHFFFAOYSA-N
MW231.27 g/mol
LogP3.12
Rot. Bonds4

About 3-fluoro-2-(phenylmethoxymethyl)aniline

3-fluoro-2-(phenylmethoxymethyl)aniline (PubChem CID 63331645) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is 3-fluoro-2-(phenylmethoxymethyl)aniline.

Molecular Properties

Compound Name3-fluoro-2-(phenylmethoxymethyl)aniline
PubChem CID63331645
Molecular FormulaC14H14FNO
Molecular Weight231.27 g/mol
Exact Mass231.11
IUPAC Name3-fluoro-2-(phenylmethoxymethyl)aniline
SMILESNc1cccc(F)c1COCc1ccccc1
InChIInChI=1S/C14H14FNO/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2
InChIKeyQMBKWZOIUCZXCF-UHFFFAOYSA-N
XLogP3.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethylbutoxymethyl)-3-fluoroaniline
CID 66232681
CID 66734377
CID 66734377
2-methyl-3-(phenylmethoxymethyl)aniline
CID 43509269
(2-fluoro-6-phenylmethoxyphenyl)methanamine
CID 23071556
4-(phenylmethoxymethyl)aniline
CID 11701294
3-bromo-2-[(4-bromophenyl)methoxymethyl]aniline
CID 82828141
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
CID 55200768
ethane;phenylmethoxymethylbenzene
CID 90943549
(2-amino-6-fluorophenyl)methylazanium
CID 7144995
2-[(2-tert-butylphenoxy)methyl]-3-fluoroaniline
CID 63331805
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
2-(cyclopentyloxymethyl)-3-fluoroaniline
CID 63331594

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(phenylmethoxymethyl)aniline?
The IUPAC name of 3-fluoro-2-(phenylmethoxymethyl)aniline (CID 63331645) is 3-fluoro-2-(phenylmethoxymethyl)aniline.
What is the SMILES notation for 3-fluoro-2-(phenylmethoxymethyl)aniline?
The canonical SMILES for 3-fluoro-2-(phenylmethoxymethyl)aniline is Nc1cccc(F)c1COCc1ccccc1.
What is the InChIKey of 3-fluoro-2-(phenylmethoxymethyl)aniline?
The InChIKey is QMBKWZOIUCZXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c15-13-7-4-8-14(16)12(13)10-17-9-11-5-2-1-3-6-11/h1-8H,9-10,16H2.
What are the key properties of 3-fluoro-2-(phenylmethoxymethyl)aniline?
3-fluoro-2-(phenylmethoxymethyl)aniline has a molecular weight of 231.27 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(phenylmethoxymethyl)aniline is sourced from PubChem (CID 63331645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).