4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline

C14H15FN2O — CID 116936753

IUPAC4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)cc1C(N)c1ccc(N)cc1
InChIInChI=1S/C14H15FN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3
InChIKeyWDPKTXGYFLOIQN-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.46
Rot. Bonds3

About 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline

4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline (PubChem CID 116936753) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
PubChem CID116936753
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC Name4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline
SMILESCOc1ccc(F)cc1C(N)c1ccc(N)cc1
InChIInChI=1S/C14H15FN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3
InChIKeyWDPKTXGYFLOIQN-UHFFFAOYSA-N
XLogP2.46
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
4-[amino-(5-bromo-2-methoxyphenyl)methyl]aniline
CID 116936765
(3,5-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122354
(5-fluoro-2-methoxyphenyl)-(5-fluoro-3-pyridinyl)methanamine
CID 105176629
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
(2,6-difluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122336
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245
(2,5-dichlorothiophen-3-yl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107960548
(5-bromo-3-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43125149
(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009

Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline?
The IUPAC name of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline (CID 116936753) is 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline?
The canonical SMILES for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline is COc1ccc(F)cc1C(N)c1ccc(N)cc1.
What is the InChIKey of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline?
The InChIKey is WDPKTXGYFLOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-13-7-4-10(15)8-12(13)14(17)9-2-5-11(16)6-3-9/h2-8,14H,16-17H2,1H3.
What are the key properties of 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline?
4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline has a molecular weight of 246.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-fluoro-2-methoxyphenyl)methyl]aniline is sourced from PubChem (CID 116936753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).