4-fluoro-N-[(4-propoxyphenyl)methyl]aniline

C16H18FNO — CID 40650179

IUPAC4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyCAGXCPUQIGOKCS-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.23
Rot. Bonds6

About 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline

4-fluoro-N-[(4-propoxyphenyl)methyl]aniline (PubChem CID 40650179) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
PubChem CID40650179
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-fluoro-N-[(4-propoxyphenyl)methyl]aniline
SMILESCCCOc1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3
InChIKeyCAGXCPUQIGOKCS-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-heptoxyphenyl)methyl]aniline
CID 54796471
N-[(4-methylsulfanylphenyl)methyl]-4-propoxyaniline
CID 62327458
4-[2-(dimethylamino)ethoxy]-N-[(4-fluorophenyl)methyl]aniline
CID 60942297
N-[(3-fluoro-4-methylphenyl)methyl]-4-propoxyaniline
CID 63645716
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
4-heptoxy-N-[(4-heptoxyphenyl)methyl]aniline
CID 54799653
N-[(3-chloro-5-fluorophenyl)methyl]-4-propoxyaniline
CID 114452826
3-propoxy-N-[(4-propoxyphenyl)methyl]aniline
CID 54800585
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[(5-fluoro-2-methylphenyl)methyl]-4-propoxyaniline
CID 105370985

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline?
The IUPAC name of 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline (CID 40650179) is 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline.
What is the SMILES notation for 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline?
The canonical SMILES for 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline is CCCOc1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline?
The InChIKey is CAGXCPUQIGOKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-2-11-19-16-9-3-13(4-10-16)12-18-15-7-5-14(17)6-8-15/h3-10,18H,2,11-12H2,1H3.
What are the key properties of 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline?
4-fluoro-N-[(4-propoxyphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-propoxyphenyl)methyl]aniline is sourced from PubChem (CID 40650179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).