3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline

C15H17FN2O — CID 112646114

IUPAC3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1cccc(N(C)Cc2cc(N)cc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-18(14-4-3-5-15(9-14)19-2)10-11-6-12(16)8-13(17)7-11/h3-9H,10,17H2,1-2H3
InChIKeyFBHJRUMRUDBCIE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.05
Rot. Bonds4

About 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline

3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline (PubChem CID 112646114) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
PubChem CID112646114
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1cccc(N(C)Cc2cc(N)cc(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-18(14-4-3-5-15(9-14)19-2)10-11-6-12(16)8-13(17)7-11/h3-9H,10,17H2,1-2H3
InChIKeyFBHJRUMRUDBCIE-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
CID 63189213
5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
3-N-benzyl-5-methoxy-3-N-methylbenzene-1,3-diamine
CID 80726366
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
3-N-benzyl-5-fluoro-3-N-methylbenzene-1,3-diamine
CID 60875163
(2S)-1-N-(3-methoxyphenyl)-1-N-methylpropane-1,2-diamine
CID 28772492
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
5-[(3-methoxy-N-methylanilino)methyl]-1,3,4-thiadiazol-2-amine
CID 80606084
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline?
The IUPAC name of 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline (CID 112646114) is 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline.
What is the SMILES notation for 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline?
The canonical SMILES for 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline is COc1cccc(N(C)Cc2cc(N)cc(F)c2)c1.
What is the InChIKey of 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline?
The InChIKey is FBHJRUMRUDBCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(14-4-3-5-15(9-14)19-2)10-11-6-12(16)8-13(17)7-11/h3-9H,10,17H2,1-2H3.
What are the key properties of 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline?
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline has a molecular weight of 260.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline is sourced from PubChem (CID 112646114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).