N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline

C18H22FNO — CID 43687355

IUPACN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H22FNO/c1-4-7-14-8-5-6-9-17(14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-6,8-13,20H,4,7H2,1-3H3
InChIKeySPIZZCSFSRQJMO-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline (PubChem CID 43687355) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
PubChem CID43687355
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC NameN-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline
SMILESCCCc1ccccc1NC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H22FNO/c1-4-7-14-8-5-6-9-17(14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-6,8-13,20H,4,7H2,1-3H3
InChIKeySPIZZCSFSRQJMO-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

2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43194744
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43190042
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913
2-fluoro-N-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethyl]aniline
CID 43514914
1-(2-ethylphenyl)-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]thiourea
CID 8562629
3-[1-(2-propylanilino)ethyl]phenol
CID 43687423
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylpropan-1-amine
CID 43724000
4-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylaniline
CID 43195979
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(methoxymethyl)aniline
CID 83069691
N-[(2-bromophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 43225807

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline?
The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline (CID 43687355) is N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline.
What is the SMILES notation for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline?
The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline is CCCc1ccccc1NC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline?
The InChIKey is SPIZZCSFSRQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-7-14-8-5-6-9-17(14)20-13(2)15-10-11-18(21-3)16(19)12-15/h5-6,8-13,20H,4,7H2,1-3H3.
What are the key properties of N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline?
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-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-(3-fluoro-4-methoxyphenyl)ethyl]-2-propylaniline is sourced from PubChem (CID 43687355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).