N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline

C18H22FNO — CID 83059340

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)20-13(2)15-8-11-17(19)18(12-15)21-3/h6-13,20H,4-5H2,1-3H3
InChIKeySDCPPYBRJDOJSW-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline (PubChem CID 83059340) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
PubChem CID83059340
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline
SMILESCCCc1ccc(NC(C)c2ccc(F)c(OC)c2)cc1
InChIInChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)20-13(2)15-8-11-17(19)18(12-15)21-3/h6-13,20H,4-5H2,1-3H3
InChIKeySDCPPYBRJDOJSW-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trifluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83058996
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-chloro-3-methoxy-N-[1-(4-propylphenyl)ethyl]aniline
CID 107621050
2-methoxy-5-[1-(4-propylphenyl)ethylamino]phenol
CID 43743777
N-[1-(4-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114837677
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
N-(1-phenylethyl)-4-propylaniline
CID 43078217

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline (CID 83059340) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline is CCCc1ccc(NC(C)c2ccc(F)c(OC)c2)cc1.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline?
The InChIKey is SDCPPYBRJDOJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)20-13(2)15-8-11-17(19)18(12-15)21-3/h6-13,20H,4-5H2,1-3H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline has a molecular weight of 287.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-propylaniline is sourced from PubChem (CID 83059340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).