N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline

C17H20FNO2 — CID 63646703

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO2/c1-13-6-7-14(10-17(13)18)12-19-15-4-3-5-16(11-15)21-9-8-20-2/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyOMQFSXRUQWRTPT-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.77
Rot. Bonds7

About N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline

N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline (PubChem CID 63646703) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
PubChem CID63646703
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO2/c1-13-6-7-14(10-17(13)18)12-19-15-4-3-5-16(11-15)21-9-8-20-2/h3-7,10-11,19H,8-9,12H2,1-2H3
InChIKeyOMQFSXRUQWRTPT-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
CID 63645864
3-(2-methoxyethoxy)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 60936529
N-[(4-bromophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934782
3-chloro-4-fluoro-N-[[3-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39446920
N-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762008
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxyaniline
CID 55245180

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline (CID 63646703) is N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
The InChIKey is OMQFSXRUQWRTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-13-6-7-14(10-17(13)18)12-19-15-4-3-5-16(11-15)21-9-8-20-2/h3-7,10-11,19H,8-9,12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline?
N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline has a molecular weight of 289.35 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 63646703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).