1-(2-fluoro-5-propoxyphenyl)butan-1-amine

C13H20FNO — CID 83988799

IUPAC1-(2-fluoro-5-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(F)c(C(N)CCC)c1
InChIInChI=1S/C13H20FNO/c1-3-5-13(15)11-9-10(16-8-4-2)6-7-12(11)14/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyICECNZPIGNKPOO-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.41
Rot. Bonds6

About 1-(2-fluoro-5-propoxyphenyl)butan-1-amine

1-(2-fluoro-5-propoxyphenyl)butan-1-amine (PubChem CID 83988799) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(2-fluoro-5-propoxyphenyl)butan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-propoxyphenyl)butan-1-amine
PubChem CID83988799
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(2-fluoro-5-propoxyphenyl)butan-1-amine
SMILESCCCOc1ccc(F)c(C(N)CCC)c1
InChIInChI=1S/C13H20FNO/c1-3-5-13(15)11-9-10(16-8-4-2)6-7-12(11)14/h6-7,9,13H,3-5,8,15H2,1-2H3
InChIKeyICECNZPIGNKPOO-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(2-methylpropoxy)phenyl]butan-1-amine
CID 83988832
(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]butan-1-amine
CID 171235861
1-(2,4-dipropoxyphenyl)butan-1-amine
CID 82551376
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
1-(2-fluoro-5-propoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171366377
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-propoxyphenyl)butan-1-amine?
The IUPAC name of 1-(2-fluoro-5-propoxyphenyl)butan-1-amine (CID 83988799) is 1-(2-fluoro-5-propoxyphenyl)butan-1-amine.
What is the SMILES notation for 1-(2-fluoro-5-propoxyphenyl)butan-1-amine?
The canonical SMILES for 1-(2-fluoro-5-propoxyphenyl)butan-1-amine is CCCOc1ccc(F)c(C(N)CCC)c1.
What is the InChIKey of 1-(2-fluoro-5-propoxyphenyl)butan-1-amine?
The InChIKey is ICECNZPIGNKPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-5-13(15)11-9-10(16-8-4-2)6-7-12(11)14/h6-7,9,13H,3-5,8,15H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-propoxyphenyl)butan-1-amine?
1-(2-fluoro-5-propoxyphenyl)butan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-propoxyphenyl)butan-1-amine is sourced from PubChem (CID 83988799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).