1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine

C14H22FNO2 — CID 107524072

IUPAC1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-4-5-10(2)18-9-13(16)11-6-7-14(17-3)12(15)8-11/h6-8,10,13H,4-5,9,16H2,1-3H3
InChIKeyOUOALPKEJFCCSZ-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.04
Rot. Bonds7

About 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine

1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine (PubChem CID 107524072) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
PubChem CID107524072
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(N)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO2/c1-4-5-10(2)18-9-13(16)11-6-7-14(17-3)12(15)8-11/h6-8,10,13H,4-5,9,16H2,1-3H3
InChIKeyOUOALPKEJFCCSZ-UHFFFAOYSA-N
XLogP3.04
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxypropan-2-yloxy)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107524139
1-(3-fluoro-4-methoxyphenyl)-3-methylhexan-1-amine
CID 115845654
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
(1R)-1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171201487
(1S)-3-fluoro-1-(3-fluoro-4-methoxyphenyl)propan-1-amine;hydrochloride
CID 171221010
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-(2-methoxy-5-methylphenyl)-2-pentan-2-yloxyethanamine
CID 102981344
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
3-ethyl-1-(3-fluoro-4-methoxyphenyl)pentan-1-amine
CID 105028399
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
N'-ethyl-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 116934854

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine (CID 107524072) is 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine is CCCC(C)OCC(N)c1ccc(OC)c(F)c1.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine?
The InChIKey is OUOALPKEJFCCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-5-10(2)18-9-13(16)11-6-7-14(17-3)12(15)8-11/h6-8,10,13H,4-5,9,16H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine?
1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine has a molecular weight of 255.33 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-2-pentan-2-yloxyethanamine is sourced from PubChem (CID 107524072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).