1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine

C18H22FNO — CID 63534051

IUPAC1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
SMILESCCCc1ccc(Oc2ccc(C(C)NC)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)21-18-11-8-15(12-17(18)19)13(2)20-3/h6-13,20H,4-5H2,1-3H3
InChIKeyTUUGLQYMBVCMFY-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.85
Rot. Bonds6

About 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine

1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine (PubChem CID 63534051) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
PubChem CID63534051
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
SMILESCCCc1ccc(Oc2ccc(C(C)NC)cc2F)cc1
InChIInChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)21-18-11-8-15(12-17(18)19)13(2)20-3/h6-13,20H,4-5H2,1-3H3
InChIKeyTUUGLQYMBVCMFY-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(4-methylphenoxy)phenyl]-N-methylethanamine
CID 43285113
1-[4-(4-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285448
1-[3-fluoro-4-(3-methylphenoxy)phenyl]-N-methylethanamine
CID 43285499
N-[1-[3-fluoro-4-(4-iodophenoxy)phenyl]ethyl]propan-1-amine
CID 43285920
2-[4-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709122
1-[4-(3-chlorophenoxy)-3-fluorophenyl]-N-methylethanamine
CID 43285582
4-[4-[1-(ethylamino)ethyl]-2-fluorophenoxy]benzonitrile
CID 43285566
(1R)-1-[3-fluoro-4-[4-(2-methoxyethyl)phenoxy]phenyl]ethanol
CID 63372547
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
1-[3-fluoro-4-(2-methoxyphenoxy)phenyl]-N-methylethanamine
CID 43285605
1-[4-[(3,5-difluorophenyl)methoxy]-3-fluorophenyl]-N-methylethanamine
CID 105402735

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine?
The IUPAC name of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine (CID 63534051) is 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine is CCCc1ccc(Oc2ccc(C(C)NC)cc2F)cc1.
What is the InChIKey of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine?
The InChIKey is TUUGLQYMBVCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-4-5-14-6-9-16(10-7-14)21-18-11-8-15(12-17(18)19)13(2)20-3/h6-13,20H,4-5H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine?
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine has a molecular weight of 287.38 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine is sourced from PubChem (CID 63534051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).