N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline

C14H15FN2O — CID 66385653

IUPACN-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2ccccc2N)cc1F
InChIInChI=1S/C14H15FN2O/c1-18-14-7-6-11(8-12(14)15)17-9-10-4-2-3-5-13(10)16/h2-8,17H,9,16H2,1H3
InChIKeyQMUCQZQWDZTWOE-UHFFFAOYSA-N
MW246.29 g/mol
LogP3.03
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline

N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline (PubChem CID 66385653) has the molecular formula C14H15FN2O and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
PubChem CID66385653
Molecular FormulaC14H15FN2O
Molecular Weight246.29 g/mol
Exact Mass246.12
IUPAC NameN-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline
SMILESCOc1ccc(NCc2ccccc2N)cc1F
InChIInChI=1S/C14H15FN2O/c1-18-14-7-6-11(8-12(14)15)17-9-10-4-2-3-5-13(10)16/h2-8,17H,9,16H2,1H3
InChIKeyQMUCQZQWDZTWOE-UHFFFAOYSA-N
XLogP3.03
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
2-chloro-6-[(3-fluoro-4-methoxyanilino)methyl]phenol
CID 112553741
3-fluoro-N-(1H-indol-3-ylmethyl)-4-methoxyaniline
CID 60980784
N-[(2,5-dichlorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 65315852
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380671
3-fluoro-4-methoxy-N-(2-methoxyethyl)aniline
CID 43380738
3,4-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791484
3-fluoro-4-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 43663743
3-fluoro-4-methoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43380614
3-fluoro-4-[(3-fluoro-4-methoxyanilino)methyl]benzonitrile
CID 43380821

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline (CID 66385653) is N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline is COc1ccc(NCc2ccccc2N)cc1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline?
The InChIKey is QMUCQZQWDZTWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-18-14-7-6-11(8-12(14)15)17-9-10-4-2-3-5-13(10)16/h2-8,17H,9,16H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline?
N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline has a molecular weight of 246.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-fluoro-4-methoxyaniline is sourced from PubChem (CID 66385653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).