2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline

C15H17FN2O — CID 63189213

IUPAC2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1cccc(N(C)Cc2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)10-11-6-7-15(17)14(16)8-11/h3-9H,10,17H2,1-2H3
InChIKeyKWKPODBNIWLUJF-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.05
Rot. Bonds4

About 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline

2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline (PubChem CID 63189213) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
PubChem CID63189213
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline
SMILESCOc1cccc(N(C)Cc2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)10-11-6-7-15(17)14(16)8-11/h3-9H,10,17H2,1-2H3
InChIKeyKWKPODBNIWLUJF-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'}

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Related Compounds

5-[(3-methoxy-N-methylanilino)methyl]-2-methylaniline
CID 62004359
3-fluoro-5-[(3-methoxy-N-methylanilino)methyl]aniline
CID 112646114
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
CID 142915200
2-ethoxy-4-N-[(3-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63671838
N-[(3-methoxyphenyl)methyl]-N-methylaniline
CID 66916764
4-(aminomethyl)-2-fluoro-N-(3-methoxyphenyl)-N-methylaniline
CID 55207807
4-N-[(4-chlorophenyl)methyl]-2-fluoro-4-N-methylbenzene-1,4-diamine
CID 115123911
5-[(3-methoxy-N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038934
4-chloro-2-N-[(3-methoxyphenyl)methyl]-2-N-methylbenzene-1,2-diamine
CID 115468715
N-[(2-hydrazinyl-4-pyridinyl)methyl]-3-methoxy-N-methylaniline
CID 62471694
N-ethyl-3-methoxy-N-methylaniline
CID 67357774
4-bromo-3-[(3-methoxy-N-methylanilino)methyl]aniline
CID 115297677

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline?
The IUPAC name of 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline (CID 63189213) is 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline.
What is the SMILES notation for 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline?
The canonical SMILES for 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline is COc1cccc(N(C)Cc2ccc(N)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline?
The InChIKey is KWKPODBNIWLUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-18(12-4-3-5-13(9-12)19-2)10-11-6-7-15(17)14(16)8-11/h3-9H,10,17H2,1-2H3.
What are the key properties of 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline?
2-fluoro-4-[(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 2-fluoro-4-[(3-methoxy-N-methylanilino)methyl]aniline is sourced from PubChem (CID 63189213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).