N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline

C17H20FNO — CID 63645864

IUPACN-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-3-9-20-16-6-4-5-15(11-16)19-12-14-8-7-13(2)17(18)10-14/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeyDCLWDPTWABPUEA-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.54
Rot. Bonds6

About N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline

N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline (PubChem CID 63645864) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
PubChem CID63645864
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline
SMILESCCCOc1cccc(NCc2ccc(C)c(F)c2)c1
InChIInChI=1S/C17H20FNO/c1-3-9-20-16-6-4-5-15(11-16)19-12-14-8-7-13(2)17(18)10-14/h4-8,10-11,19H,3,9,12H2,1-2H3
InChIKeyDCLWDPTWABPUEA-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 63646703
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
3-fluoro-N-[(3-propoxyphenyl)methyl]aniline
CID 39360349
N-[(3-ethoxyphenyl)methyl]-3-propoxyaniline
CID 54800526
3-butoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54800692
N-[(4-methylsulfanylphenyl)methyl]-3-propoxyaniline
CID 43435807
N-[(6-methyl-3-pyridinyl)methyl]-3-propoxyaniline
CID 104749489
3-heptoxy-N-[(3-propoxyphenyl)methyl]aniline
CID 54802344
N'-(2,6-dimethylphenyl)-N-(3-propoxyphenyl)ethane-1,2-diamine
CID 54810103
N-(4-fluorophenyl)-N'-(3-propoxyphenyl)ethane-1,2-diamine
CID 54805927
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline (CID 63645864) is N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline is CCCOc1cccc(NCc2ccc(C)c(F)c2)c1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline?
The InChIKey is DCLWDPTWABPUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-3-9-20-16-6-4-5-15(11-16)19-12-14-8-7-13(2)17(18)10-14/h4-8,10-11,19H,3,9,12H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline?
N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline has a molecular weight of 273.35 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)methyl]-3-propoxyaniline is sourced from PubChem (CID 63645864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).